NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype
650358 6lms cing 4-filtered-FRED Wattos check violation distance


data_6lms


save_distance_constraint_statistics_1
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            1
    _Distance_constraint_stats_list.Constraint_count              905
    _Distance_constraint_stats_list.Viol_count                    1795
    _Distance_constraint_stats_list.Viol_total                    4448.748
    _Distance_constraint_stats_list.Viol_max                      1.288
    _Distance_constraint_stats_list.Viol_rms                      0.0546
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0123
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1239
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1  17 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  18 LYS  0.901 0.321  3 0 "[    .    1    .    2]" 
       1  19 LYS  1.364 0.321  3 0 "[    .    1    .    2]" 
       1  20 VAL  7.316 0.252 16 0 "[    .    1    .    2]" 
       1  21 ILE 17.368 0.473  4 0 "[    .    1    .    2]" 
       1  22 ALA 29.001 0.400  7 0 "[    .    1    .    2]" 
       1  23 THR 10.492 0.326 16 0 "[    .    1    .    2]" 
       1  24 LYS  8.271 0.238  7 0 "[    .    1    .    2]" 
       1  25 VAL 10.824 0.373  8 0 "[    .    1    .    2]" 
       1  26 LEU  2.922 0.373  8 0 "[    .    1    .    2]" 
       1  27 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  28 THR  5.767 0.342  1 0 "[    .    1    .    2]" 
       1  29 VAL  8.832 0.351  7 0 "[    .    1    .    2]" 
       1  30 LYS  2.123 0.113 15 0 "[    .    1    .    2]" 
       1  31 TRP 10.520 0.351  7 0 "[    .    1    .    2]" 
       1  32 PHE  3.131 0.243  8 0 "[    .    1    .    2]" 
       1  33 ASN  3.075 0.156 18 0 "[    .    1    .    2]" 
       1  34 VAL  0.246 0.034 15 0 "[    .    1    .    2]" 
       1  35 ARG  2.125 0.126  3 0 "[    .    1    .    2]" 
       1  36 ASN  8.193 0.329  6 0 "[    .    1    .    2]" 
       1  37 GLY  0.596 0.039 13 0 "[    .    1    .    2]" 
       1  38 TYR 10.747 0.329  6 0 "[    .    1    .    2]" 
       1  39 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  40 PHE  4.756 0.224 16 0 "[    .    1    .    2]" 
       1  41 ILE  3.509 0.257  8 0 "[    .    1    .    2]" 
       1  42 ASN  0.816 0.178  4 0 "[    .    1    .    2]" 
       1  43 ARG  3.374 0.275 15 0 "[    .    1    .    2]" 
       1  44 ASN  6.415 0.342  1 0 "[    .    1    .    2]" 
       1  45 ASP  3.960 0.180 11 0 "[    .    1    .    2]" 
       1  46 THR  8.595 0.300 11 0 "[    .    1    .    2]" 
       1  47 LYS  0.754 0.122 19 0 "[    .    1    .    2]" 
       1  48 GLU  3.899 0.423 19 0 "[    .    1    .    2]" 
       1  49 ASP  2.526 0.423 19 0 "[    .    1    .    2]" 
       1  50 VAL  7.623 0.378  8 0 "[    .    1    .    2]" 
       1  51 PHE  9.540 0.378  8 0 "[    .    1    .    2]" 
       1  52 VAL  7.418 0.449  5 0 "[    .    1    .    2]" 
       1  53 HIS  7.232 0.449  5 0 "[    .    1    .    2]" 
       1  54 GLN  2.840 0.232  8 0 "[    .    1    .    2]" 
       1  55 THR 10.461 0.430  6 0 "[    .    1    .    2]" 
       1  56 ALA  8.770 0.430  6 0 "[    .    1    .    2]" 
       1  57 ILE  7.019 0.283 20 0 "[    .    1    .    2]" 
       1  58 LYS  1.382 0.164 10 0 "[    .    1    .    2]" 
       1  59 LYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  60 ASN  1.321 0.145 16 0 "[    .    1    .    2]" 
       1  61 ASN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  62 PRO  1.049 0.102 12 0 "[    .    1    .    2]" 
       1  63 ARG  2.557 0.102 12 0 "[    .    1    .    2]" 
       1  64 LYS  1.440 0.101 16 0 "[    .    1    .    2]" 
       1  65 TYR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  66 LEU  2.472 0.165  4 0 "[    .    1    .    2]" 
       1  67 ARG  3.974 0.223 15 0 "[    .    1    .    2]" 
       1  68 SER  4.220 0.223 15 0 "[    .    1    .    2]" 
       1  69 VAL  4.942 0.356 20 0 "[    .    1    .    2]" 
       1  70 GLY  2.088 0.356 20 0 "[    .    1    .    2]" 
       1  71 ASP  1.100 0.124 16 0 "[    .    1    .    2]" 
       1  72 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  73 GLU  1.807 0.119 18 0 "[    .    1    .    2]" 
       1  74 THR  2.114 0.081 20 0 "[    .    1    .    2]" 
       1  75 VAL  0.034 0.021 19 0 "[    .    1    .    2]" 
       1  76 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  77 PHE  4.972 0.210  3 0 "[    .    1    .    2]" 
       1  78 ASP 13.193 0.400  7 0 "[    .    1    .    2]" 
       1  79 VAL  8.635 0.286  8 0 "[    .    1    .    2]" 
       1  80 VAL 10.294 0.321 15 0 "[    .    1    .    2]" 
       1  81 GLU  2.438 0.198  9 0 "[    .    1    .    2]" 
       1  82 GLY  2.152 0.142 16 0 "[    .    1    .    2]" 
       1  83 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  84 LYS  5.587 0.343 17 0 "[    .    1    .    2]" 
       1  85 GLY  8.190 0.512  7 1 "[    . +  1    .    2]" 
       1  86 ALA  5.140 0.512  7 1 "[    . +  1    .    2]" 
       1  87 GLU  5.068 0.176 10 0 "[    .    1    .    2]" 
       1  88 ALA  0.598 0.042 16 0 "[    .    1    .    2]" 
       1  89 ALA  3.164 0.185 10 0 "[    .    1    .    2]" 
       1  90 ASN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  91 VAL  3.629 0.283 20 0 "[    .    1    .    2]" 
       1  92 THR  0.101 0.061  7 0 "[    .    1    .    2]" 
       1  93 GLY  0.086 0.086 14 0 "[    .    1    .    2]" 
       1  94 PRO  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  95 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  96 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  97 VAL  3.109 0.168 16 0 "[    .    1    .    2]" 
       1  98 PRO  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  99 VAL  2.224 0.145 16 0 "[    .    1    .    2]" 
       1 100 GLN  1.465 0.089  7 0 "[    .    1    .    2]" 
       1 101 GLY  3.468 0.214  7 0 "[    .    1    .    2]" 
       1 102 SER  1.203 0.124 16 0 "[    .    1    .    2]" 
       1 103 LYS  1.645 0.094 15 0 "[    .    1    .    2]" 
       1 104 TYR 15.639 1.288  3 9 "[  +**    1-  *.*** *]" 
       1 105 ALA 14.967 1.288  3 9 "[  +**    1-  *.*** *]" 
       1 106 ALA  0.207 0.036  3 0 "[    .    1    .    2]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

         1 1  17 ASP HA   1  18 LYS H    2.900 . 2.900 2.575 2.408 2.785     .  0 0 "[    .    1    .    2]" 1 
         2 1  17 ASP QB   1  18 LYS H    3.500 . 4.500 3.950 3.901 4.023     .  0 0 "[    .    1    .    2]" 1 
         3 1  18 LYS H    1  18 LYS QB   2.900 . 3.500 2.515 2.193 3.295     .  0 0 "[    .    1    .    2]" 1 
         4 1  18 LYS H    1  18 LYS QD   5.000 . 6.000 4.816 4.212 5.313     .  0 0 "[    .    1    .    2]" 1 
         5 1  18 LYS H    1  18 LYS QE   5.000 . 6.000 5.112 4.504 5.494     .  0 0 "[    .    1    .    2]" 1 
         6 1  18 LYS H    1  18 LYS QG   2.900 . 3.900 3.534 2.406 3.939 0.039 16 0 "[    .    1    .    2]" 1 
         7 1  18 LYS H    1  19 LYS H    5.000 . 5.000 4.534 4.195 4.643     .  0 0 "[    .    1    .    2]" 1 
         8 1  18 LYS HA   1  19 LYS H    2.900 . 2.900 2.490 2.199 2.950 0.050 12 0 "[    .    1    .    2]" 1 
         9 1  18 LYS HA   1  80 VAL QG   5.000 . 7.400 5.447 4.956 5.572     .  0 0 "[    .    1    .    2]" 1 
        10 1  18 LYS QB   1  80 VAL QG   3.500 . 6.900 3.490 3.221 4.539     .  0 0 "[    .    1    .    2]" 1 
        11 1  18 LYS QD   1  19 LYS H    3.500 . 4.500 3.298 2.093 4.136     .  0 0 "[    .    1    .    2]" 1 
        12 1  18 LYS QD   1  80 VAL QG   2.700 . 6.100 3.432 2.230 4.142     .  0 0 "[    .    1    .    2]" 1 
        13 1  18 LYS QE   1  19 LYS H    5.000 . 6.000 2.017 1.479 2.818 0.321  3 0 "[    .    1    .    2]" 1 
        14 1  18 LYS QE   1  21 ILE MG   5.000 . 7.500 5.607 5.433 5.749     .  0 0 "[    .    1    .    2]" 1 
        15 1  18 LYS QE   1  80 VAL QG   5.000 . 8.400 3.666 1.974 5.008     .  0 0 "[    .    1    .    2]" 1 
        16 1  18 LYS QG   1  80 VAL QG   5.000 . 8.400 4.095 2.716 4.599     .  0 0 "[    .    1    .    2]" 1 
        17 1  19 LYS H    1  19 LYS HA   2.900 . 2.900 2.921 2.859 2.984 0.084  3 0 "[    .    1    .    2]" 1 
        18 1  19 LYS H    1  19 LYS QB   2.900 . 3.500 2.456 2.260 2.639     .  0 0 "[    .    1    .    2]" 1 
        19 1  19 LYS H    1  19 LYS QE   5.000 . 6.000 4.879 4.546 5.302     .  0 0 "[    .    1    .    2]" 1 
        20 1  19 LYS H    1  19 LYS QG   3.500 . 4.500 2.732 2.389 4.065     .  0 0 "[    .    1    .    2]" 1 
        21 1  19 LYS H    1  80 VAL QG   5.000 . 7.400 4.783 4.149 5.100     .  0 0 "[    .    1    .    2]" 1 
        22 1  19 LYS H    1  81 GLU QB   3.500 . 5.000 3.491 2.105 4.243     .  0 0 "[    .    1    .    2]" 1 
        23 1  19 LYS HA   1  20 VAL H    2.900 . 2.900 2.175 2.130 2.242     .  0 0 "[    .    1    .    2]" 1 
        24 1  19 LYS HA   1  20 VAL QG   3.500 . 5.900 3.500 3.338 3.853     .  0 0 "[    .    1    .    2]" 1 
        25 1  19 LYS QB   1  20 VAL H    2.900 . 3.900 2.946 2.677 3.662     .  0 0 "[    .    1    .    2]" 1 
        26 1  19 LYS QB   1  21 ILE MG   3.500 . 6.000 3.759 3.564 4.097     .  0 0 "[    .    1    .    2]" 1 
        27 1  19 LYS QB   1  81 GLU H    2.900 . 3.900 3.438 3.285 3.558     .  0 0 "[    .    1    .    2]" 1 
        28 1  19 LYS QD   1  20 VAL H    5.000 . 6.000 4.826 2.841 5.396     .  0 0 "[    .    1    .    2]" 1 
        29 1  19 LYS QD   1  21 ILE MG   5.000 . 7.500 4.617 3.119 5.456     .  0 0 "[    .    1    .    2]" 1 
        30 1  19 LYS QG   1  20 VAL H    3.500 . 4.500 3.883 2.598 4.267     .  0 0 "[    .    1    .    2]" 1 
        31 1  19 LYS QG   1  21 ILE MG   5.000 . 7.500 5.404 3.630 5.567     .  0 0 "[    .    1    .    2]" 1 
        32 1  20 VAL H    1  20 VAL HA   2.900 . 2.900 2.975 2.942 2.983 0.083 15 0 "[    .    1    .    2]" 1 
        33 1  20 VAL H    1  20 VAL HB   2.900 . 2.900 2.623 2.530 2.997 0.097 16 0 "[    .    1    .    2]" 1 
        34 1  20 VAL H    1  20 VAL QG   2.900 . 4.600 2.332 1.846 2.512     .  0 0 "[    .    1    .    2]" 1 
        35 1  20 VAL H    1  21 ILE H    5.000 . 5.000 4.366 4.311 4.489     .  0 0 "[    .    1    .    2]" 1 
        36 1  20 VAL H    1  80 VAL HA   5.000 . 5.000 4.982 4.932 5.082 0.082 15 0 "[    .    1    .    2]" 1 
        37 1  20 VAL HA   1  20 VAL QG   2.700 . 4.400 2.124 2.094 2.247     .  0 0 "[    .    1    .    2]" 1 
        38 1  20 VAL HA   1  21 ILE H    2.900 . 2.900 2.153 2.144 2.168     .  0 0 "[    .    1    .    2]" 1 
        39 1  20 VAL HA   1  22 ALA H    3.500 . 3.500 3.698 3.669 3.752 0.252 16 0 "[    .    1    .    2]" 1 
        40 1  20 VAL HA   1  80 VAL QG   5.000 . 7.400 2.304 2.200 2.507     .  0 0 "[    .    1    .    2]" 1 
        41 1  20 VAL HA   1  81 GLU H    3.500 . 3.500 3.572 3.473 3.698 0.198  9 0 "[    .    1    .    2]" 1 
        42 1  20 VAL QG   1  21 ILE H    2.900 . 5.300 2.710 2.536 2.765     .  0 0 "[    .    1    .    2]" 1 
        43 1  20 VAL QG   1  22 ALA H    2.900 . 5.300 2.438 2.314 2.564     .  0 0 "[    .    1    .    2]" 1 
        44 1  20 VAL QG   1  22 ALA HA   5.000 . 7.400 3.446 3.415 3.488     .  0 0 "[    .    1    .    2]" 1 
        45 1  20 VAL QG   1  23 THR H    5.000 . 7.400 3.946 3.875 4.016     .  0 0 "[    .    1    .    2]" 1 
        46 1  20 VAL QG   1  23 THR HB   5.000 . 7.400 4.597 3.658 4.943     .  0 0 "[    .    1    .    2]" 1 
        47 1  20 VAL QG   1  79 VAL H    2.900 . 5.300 3.299 3.173 3.520     .  0 0 "[    .    1    .    2]" 1 
        48 1  21 ILE H    1  21 ILE HB   2.900 . 2.900 3.349 3.328 3.373 0.473  4 0 "[    .    1    .    2]" 1 
        49 1  21 ILE H    1  21 ILE MD   5.000 . 6.500 3.488 3.464 3.545     .  0 0 "[    .    1    .    2]" 1 
        50 1  21 ILE H    1  21 ILE HG12 3.500 . 3.500 1.904 1.845 2.002     .  0 0 "[    .    1    .    2]" 1 
        51 1  21 ILE H    1  21 ILE MG   3.500 . 5.000 3.374 3.299 3.422     .  0 0 "[    .    1    .    2]" 1 
        52 1  21 ILE H    1  22 ALA H    2.900 . 2.900 2.156 2.014 2.216     .  0 0 "[    .    1    .    2]" 1 
        53 1  21 ILE H    1  79 VAL H    5.000 . 5.000 4.611 4.422 4.700     .  0 0 "[    .    1    .    2]" 1 
        54 1  21 ILE H    1  79 VAL HB   5.000 . 5.000 3.879 3.768 3.936     .  0 0 "[    .    1    .    2]" 1 
        55 1  21 ILE H    1  79 VAL QG   3.500 . 5.900 3.671 3.635 3.698     .  0 0 "[    .    1    .    2]" 1 
        56 1  21 ILE H    1  80 VAL HA   2.900 . 2.900 2.158 2.102 2.252     .  0 0 "[    .    1    .    2]" 1 
        57 1  21 ILE H    1  80 VAL HB   5.000 . 5.000 4.452 4.379 4.558     .  0 0 "[    .    1    .    2]" 1 
        58 1  21 ILE H    1  81 GLU H    5.000 . 5.000 3.677 3.558 3.922     .  0 0 "[    .    1    .    2]" 1 
        59 1  21 ILE HA   1  22 ALA H    3.500 . 3.500 3.562 3.552 3.568 0.068 17 0 "[    .    1    .    2]" 1 
        60 1  21 ILE HB   1  22 ALA H    2.900 . 2.900 3.189 3.149 3.227 0.327 12 0 "[    .    1    .    2]" 1 
        61 1  21 ILE HB   1  79 VAL QG   3.500 . 5.900 2.949 2.835 3.079     .  0 0 "[    .    1    .    2]" 1 
        62 1  21 ILE MD   1  22 ALA H    5.000 . 6.500 4.120 4.068 4.160     .  0 0 "[    .    1    .    2]" 1 
        63 1  21 ILE MD   1  79 VAL HB   5.000 . 6.500 3.777 3.689 3.871     .  0 0 "[    .    1    .    2]" 1 
        64 1  21 ILE MD   1  79 VAL QG   2.700 . 6.600 1.935 1.881 2.011     .  0 0 "[    .    1    .    2]" 1 
        65 1  21 ILE MD   1  80 VAL H    5.000 . 6.500 3.592 3.481 3.661     .  0 0 "[    .    1    .    2]" 1 
        66 1  21 ILE MD   1  80 VAL HA   5.000 . 6.500 3.496 3.433 3.626     .  0 0 "[    .    1    .    2]" 1 
        67 1  21 ILE MD   1  80 VAL QG   2.700 . 6.600 3.953 3.890 3.983     .  0 0 "[    .    1    .    2]" 1 
        68 1  21 ILE MD   1  81 GLU H    3.500 . 5.000 3.428 3.350 3.483     .  0 0 "[    .    1    .    2]" 1 
        69 1  21 ILE MD   1  81 GLU HA   3.500 . 5.000 2.180 1.981 2.341     .  0 0 "[    .    1    .    2]" 1 
        70 1  21 ILE MD   1  81 GLU QG   3.500 . 6.000 2.538 2.116 3.422     .  0 0 "[    .    1    .    2]" 1 
        71 1  21 ILE MD   1  82 GLY H    5.000 . 6.500 3.705 3.381 3.848     .  0 0 "[    .    1    .    2]" 1 
        72 1  21 ILE MD   1  86 ALA HA   5.000 . 6.500 2.242 2.119 2.343     .  0 0 "[    .    1    .    2]" 1 
        73 1  21 ILE MD   1  86 ALA MB   2.700 . 5.700 2.340 2.131 2.596     .  0 0 "[    .    1    .    2]" 1 
        74 1  21 ILE MD   1  87 GLU H    5.000 . 6.500 2.922 2.781 3.006     .  0 0 "[    .    1    .    2]" 1 
        75 1  21 ILE QG   1  79 VAL QG   5.000 . 8.400 2.075 2.062 2.091     .  0 0 "[    .    1    .    2]" 1 
        76 1  21 ILE HG12 1  22 ALA H    3.500 . 3.500 3.569 3.528 3.600 0.100 13 0 "[    .    1    .    2]" 1 
        77 1  21 ILE HG12 1  81 GLU H    5.000 . 5.000 2.751 2.642 2.908     .  0 0 "[    .    1    .    2]" 1 
        78 1  21 ILE MG   1  22 ALA H    3.500 . 5.000 4.222 4.209 4.228     .  0 0 "[    .    1    .    2]" 1 
        79 1  21 ILE MG   1  22 ALA MB   3.500 . 6.500 4.420 4.388 4.461     .  0 0 "[    .    1    .    2]" 1 
        80 1  21 ILE MG   1  79 VAL QG   2.700 . 6.600 3.758 3.704 3.820     .  0 0 "[    .    1    .    2]" 1 
        81 1  21 ILE MG   1  81 GLU H    5.000 . 6.500 4.198 4.063 4.391     .  0 0 "[    .    1    .    2]" 1 
        82 1  21 ILE MG   1  81 GLU QB   5.000 . 7.500 3.893 3.005 4.419     .  0 0 "[    .    1    .    2]" 1 
        83 1  22 ALA H    1  22 ALA HA   2.900 . 2.900 2.950 2.946 2.955 0.055  7 0 "[    .    1    .    2]" 1 
        84 1  22 ALA H    1  22 ALA MB   2.900 . 4.000 2.725 2.707 2.740     .  0 0 "[    .    1    .    2]" 1 
        85 1  22 ALA H    1  23 THR H    5.000 . 5.000 4.376 4.361 4.389     .  0 0 "[    .    1    .    2]" 1 
        86 1  22 ALA H    1  25 VAL QG   5.000 . 7.400 5.073 4.888 5.195     .  0 0 "[    .    1    .    2]" 1 
        87 1  22 ALA H    1  78 ASP HA   5.000 . 5.000 5.355 5.320 5.400 0.400  7 0 "[    .    1    .    2]" 1 
        88 1  22 ALA H    1  79 VAL H    2.900 . 2.900 3.134 3.089 3.186 0.286  8 0 "[    .    1    .    2]" 1 
        89 1  22 ALA H    1  79 VAL HB   2.900 . 2.900 2.390 2.353 2.444     .  0 0 "[    .    1    .    2]" 1 
        90 1  22 ALA H    1  79 VAL QG   2.900 . 5.300 3.264 3.244 3.309     .  0 0 "[    .    1    .    2]" 1 
        91 1  22 ALA H    1  80 VAL HA   3.500 . 3.500 3.694 3.649 3.730 0.230 16 0 "[    .    1    .    2]" 1 
        92 1  22 ALA HA   1  23 THR H    2.900 . 2.900 2.288 2.269 2.306     .  0 0 "[    .    1    .    2]" 1 
        93 1  22 ALA HA   1  23 THR MG   5.000 . 6.500 4.806 4.071 5.067     .  0 0 "[    .    1    .    2]" 1 
        94 1  22 ALA HA   1  25 VAL QG   5.000 . 7.400 4.210 4.084 4.301     .  0 0 "[    .    1    .    2]" 1 
        95 1  22 ALA MB   1  23 THR H    2.900 . 4.400 2.727 2.695 2.769     .  0 0 "[    .    1    .    2]" 1 
        96 1  22 ALA MB   1  25 VAL H    5.000 . 6.500 4.717 4.634 4.814     .  0 0 "[    .    1    .    2]" 1 
        97 1  22 ALA MB   1  25 VAL QG   2.700 . 6.600 2.429 2.053 2.575     .  0 0 "[    .    1    .    2]" 1 
        98 1  22 ALA MB   1  79 VAL H    2.900 . 4.400 2.973 2.838 3.041     .  0 0 "[    .    1    .    2]" 1 
        99 1  22 ALA MB   1  79 VAL HB   2.700 . 4.200 1.997 1.965 2.022     .  0 0 "[    .    1    .    2]" 1 
       100 1  22 ALA MB   1  79 VAL QG   2.700 . 6.600 2.127 2.076 2.176     .  0 0 "[    .    1    .    2]" 1 
       101 1  23 THR H    1  23 THR HA   2.900 . 2.900 2.955 2.953 2.958 0.058 19 0 "[    .    1    .    2]" 1 
       102 1  23 THR H    1  23 THR HB   2.900 . 2.900 2.973 2.700 3.072 0.172  7 0 "[    .    1    .    2]" 1 
       103 1  23 THR H    1  23 THR MG   2.900 . 4.400 3.322 2.117 3.733     .  0 0 "[    .    1    .    2]" 1 
       104 1  23 THR H    1  24 LYS H    5.000 . 5.000 4.419 4.409 4.428     .  0 0 "[    .    1    .    2]" 1 
       105 1  23 THR H    1  25 VAL QG   3.500 . 5.900 3.255 3.081 3.424     .  0 0 "[    .    1    .    2]" 1 
       106 1  23 THR HA   1  24 LYS H    2.900 . 2.900 2.652 2.635 2.670     .  0 0 "[    .    1    .    2]" 1 
       107 1  23 THR HA   1  25 VAL H    5.000 . 5.000 5.287 5.227 5.326 0.326 16 0 "[    .    1    .    2]" 1 
       108 1  23 THR HA   1  25 VAL QG   5.000 . 7.400 4.305 4.207 4.420     .  0 0 "[    .    1    .    2]" 1 
       109 1  23 THR HA   1  79 VAL H    3.500 . 3.500 3.423 3.396 3.477     .  0 0 "[    .    1    .    2]" 1 
       110 1  23 THR HB   1  24 LYS H    3.500 . 3.500 2.640 2.322 3.555 0.055  9 0 "[    .    1    .    2]" 1 
       111 1  23 THR MG   1  24 LYS H    2.900 . 4.400 1.938 1.685 2.553 0.115 14 0 "[    .    1    .    2]" 1 
       112 1  23 THR MG   1  24 LYS QB   5.000 . 7.500 3.547 3.084 3.889     .  0 0 "[    .    1    .    2]" 1 
       113 1  23 THR MG   1  24 LYS QE   5.000 . 7.500 3.997 3.533 5.335     .  0 0 "[    .    1    .    2]" 1 
       114 1  23 THR MG   1  24 LYS QG   5.000 . 7.500 2.908 2.409 4.079     .  0 0 "[    .    1    .    2]" 1 
       115 1  23 THR MG   1  78 ASP HA   5.000 . 6.500 4.475 4.276 4.847     .  0 0 "[    .    1    .    2]" 1 
       116 1  24 LYS H    1  24 LYS HA   2.900 . 2.900 2.744 2.699 2.779     .  0 0 "[    .    1    .    2]" 1 
       117 1  24 LYS H    1  24 LYS QB   3.500 . 4.100 2.579 2.460 2.732     .  0 0 "[    .    1    .    2]" 1 
       118 1  24 LYS H    1  24 LYS QD   5.000 . 6.000 4.037 3.687 4.303     .  0 0 "[    .    1    .    2]" 1 
       119 1  24 LYS H    1  24 LYS QG   2.900 . 3.900 2.125 1.902 2.274     .  0 0 "[    .    1    .    2]" 1 
       120 1  24 LYS H    1  25 VAL QG   5.000 . 7.400 4.275 4.161 4.508     .  0 0 "[    .    1    .    2]" 1 
       121 1  24 LYS H    1  78 ASP HA   3.500 . 3.500 3.688 3.661 3.738 0.238  7 0 "[    .    1    .    2]" 1 
       122 1  24 LYS H    1  79 VAL H    5.000 . 5.000 5.157 5.115 5.199 0.199  4 0 "[    .    1    .    2]" 1 
       123 1  24 LYS HA   1  25 VAL H    2.900 . 2.900 2.118 2.089 2.139     .  0 0 "[    .    1    .    2]" 1 
       124 1  24 LYS HA   1  25 VAL QG   5.000 . 7.400 3.472 3.395 3.917     .  0 0 "[    .    1    .    2]" 1 
       125 1  24 LYS HA   1  77 PHE H    3.500 . 3.500 3.467 3.321 3.539 0.039  7 0 "[    .    1    .    2]" 1 
       126 1  24 LYS QB   1  25 VAL H    5.000 . 6.000 3.530 3.466 3.576     .  0 0 "[    .    1    .    2]" 1 
       127 1  24 LYS QG   1  25 VAL H    5.000 . 6.000 4.295 4.147 4.534     .  0 0 "[    .    1    .    2]" 1 
       128 1  25 VAL H    1  25 VAL HA   2.900 . 2.900 2.984 2.980 2.990 0.090  8 0 "[    .    1    .    2]" 1 
       129 1  25 VAL H    1  25 VAL QG   2.900 . 4.600 2.057 1.964 2.749     .  0 0 "[    .    1    .    2]" 1 
       130 1  25 VAL H    1  26 LEU H    5.000 . 5.000 4.465 4.433 4.473     .  0 0 "[    .    1    .    2]" 1 
       131 1  25 VAL H    1  76 GLU HA   5.000 . 5.000 4.324 4.258 4.425     .  0 0 "[    .    1    .    2]" 1 
       132 1  25 VAL H    1  76 GLU QG   5.000 . 6.000 4.056 3.474 5.210     .  0 0 "[    .    1    .    2]" 1 
       133 1  25 VAL H    1  77 PHE H    2.900 . 2.900 2.595 2.471 2.724     .  0 0 "[    .    1    .    2]" 1 
       134 1  25 VAL H    1  77 PHE QD   5.000 . 7.000 4.480 4.338 4.547     .  0 0 "[    .    1    .    2]" 1 
       135 1  25 VAL H    1  78 ASP HA   3.500 . 3.500 3.322 2.980 3.455     .  0 0 "[    .    1    .    2]" 1 
       136 1  25 VAL HA   1  26 LEU H    2.900 . 2.900 2.405 2.228 2.452     .  0 0 "[    .    1    .    2]" 1 
       137 1  25 VAL HB   1  26 LEU H    3.500 . 3.500 2.428 2.271 3.873 0.373  8 0 "[    .    1    .    2]" 1 
       138 1  25 VAL HB   1  77 PHE H    5.000 . 5.000 5.110 4.164 5.210 0.210  3 0 "[    .    1    .    2]" 1 
       139 1  25 VAL HB   1  79 VAL QG   5.000 . 7.400 4.537 2.977 4.857     .  0 0 "[    .    1    .    2]" 1 
       140 1  25 VAL QG   1  26 LEU H    2.900 . 5.300 3.077 2.119 3.168     .  0 0 "[    .    1    .    2]" 1 
       141 1  25 VAL QG   1  43 ARG QB   5.000 . 8.400 3.182 2.569 3.773     .  0 0 "[    .    1    .    2]" 1 
       142 1  25 VAL QG   1  43 ARG QD   5.000 . 8.400 2.948 2.011 3.661     .  0 0 "[    .    1    .    2]" 1 
       143 1  25 VAL QG   1  43 ARG QG   3.500 . 6.900 2.577 2.062 4.331     .  0 0 "[    .    1    .    2]" 1 
       144 1  25 VAL QG   1  44 ASN H    3.500 . 5.900 4.270 3.551 4.436     .  0 0 "[    .    1    .    2]" 1 
       145 1  25 VAL QG   1  77 PHE H    3.500 . 5.900 3.233 3.095 4.345     .  0 0 "[    .    1    .    2]" 1 
       146 1  25 VAL QG   1  77 PHE QD   5.000 . 9.400 3.490 3.227 4.472     .  0 0 "[    .    1    .    2]" 1 
       147 1  25 VAL QG   1  77 PHE QE   5.000 . 9.400 3.159 2.868 3.902     .  0 0 "[    .    1    .    2]" 1 
       148 1  25 VAL QG   1  77 PHE HZ   5.000 . 7.400 3.455 3.138 4.046     .  0 0 "[    .    1    .    2]" 1 
       149 1  25 VAL QG   1  78 ASP HA   5.000 . 7.400 3.424 3.123 3.821     .  0 0 "[    .    1    .    2]" 1 
       150 1  25 VAL QG   1  79 VAL H    3.500 . 5.900 3.834 3.661 3.920     .  0 0 "[    .    1    .    2]" 1 
       151 1  25 VAL QG   1  79 VAL HB   5.000 . 7.400 4.015 3.773 4.194     .  0 0 "[    .    1    .    2]" 1 
       152 1  25 VAL QG   1  79 VAL QG   2.700 . 7.500 2.257 2.150 2.412     .  0 0 "[    .    1    .    2]" 1 
       153 1  26 LEU H    1  26 LEU HA   2.900 . 2.900 2.970 2.956 2.975 0.075 13 0 "[    .    1    .    2]" 1 
       154 1  26 LEU H    1  26 LEU QB   2.900 . 3.500 2.561 2.540 2.572     .  0 0 "[    .    1    .    2]" 1 
       155 1  26 LEU H    1  26 LEU QD   3.500 . 5.200 3.238 3.183 3.275     .  0 0 "[    .    1    .    2]" 1 
       156 1  26 LEU H    1  26 LEU HG   2.900 . 2.900 2.603 2.494 2.655     .  0 0 "[    .    1    .    2]" 1 
       157 1  26 LEU H    1  27 GLY H    5.000 . 5.000 4.521 4.480 4.558     .  0 0 "[    .    1    .    2]" 1 
       158 1  26 LEU HA   1  27 GLY H    2.900 . 2.900 2.211 2.188 2.244     .  0 0 "[    .    1    .    2]" 1 
       159 1  26 LEU HA   1  75 VAL H    5.000 . 5.000 4.422 4.356 4.559     .  0 0 "[    .    1    .    2]" 1 
       160 1  26 LEU HA   1  77 PHE H    3.500 . 3.500 3.557 3.506 3.609 0.109  1 0 "[    .    1    .    2]" 1 
       161 1  26 LEU QB   1  27 GLY H    3.500 . 4.500 2.942 2.852 3.023     .  0 0 "[    .    1    .    2]" 1 
       162 1  26 LEU QD   1  27 GLY H    3.500 . 5.900 3.478 3.414 3.515     .  0 0 "[    .    1    .    2]" 1 
       163 1  26 LEU QD   1  74 THR MG   2.700 . 6.600 2.592 2.430 2.808     .  0 0 "[    .    1    .    2]" 1 
       164 1  26 LEU QD   1  75 VAL H    5.000 . 7.400 4.326 4.215 4.458     .  0 0 "[    .    1    .    2]" 1 
       165 1  26 LEU QD   1  76 GLU HA   5.000 . 7.400 2.285 2.219 2.396     .  0 0 "[    .    1    .    2]" 1 
       166 1  26 LEU QD   1  76 GLU QB   5.000 . 8.400 2.066 1.897 2.154     .  0 0 "[    .    1    .    2]" 1 
       167 1  26 LEU QD   1  76 GLU QG   5.000 . 8.400 2.533 1.965 3.677     .  0 0 "[    .    1    .    2]" 1 
       168 1  26 LEU QD   1  77 PHE H    3.500 . 5.900 3.711 3.627 3.766     .  0 0 "[    .    1    .    2]" 1 
       169 1  26 LEU QD   1  94 PRO HA   5.000 . 7.400 3.385 3.233 3.485     .  0 0 "[    .    1    .    2]" 1 
       170 1  26 LEU QD   1  94 PRO QB   5.000 . 8.400 3.056 2.836 3.552     .  0 0 "[    .    1    .    2]" 1 
       171 1  26 LEU QD   1  95 GLY H    5.000 . 7.400 4.261 4.048 4.492     .  0 0 "[    .    1    .    2]" 1 
       172 1  27 GLY H    1  28 THR H    5.000 . 5.000 4.391 4.368 4.401     .  0 0 "[    .    1    .    2]" 1 
       173 1  27 GLY H    1  41 ILE MG   3.500 . 5.000 3.910 3.786 4.060     .  0 0 "[    .    1    .    2]" 1 
       174 1  27 GLY H    1  44 ASN H    5.000 . 5.000 4.400 4.285 4.710     .  0 0 "[    .    1    .    2]" 1 
       175 1  27 GLY H    1  74 THR HA   5.000 . 5.000 4.194 4.082 4.362     .  0 0 "[    .    1    .    2]" 1 
       176 1  27 GLY H    1  74 THR MG   3.500 . 5.000 2.982 2.830 3.176     .  0 0 "[    .    1    .    2]" 1 
       177 1  27 GLY H    1  75 VAL H    2.900 . 2.900 2.780 2.686 2.863     .  0 0 "[    .    1    .    2]" 1 
       178 1  27 GLY H    1  75 VAL QG   3.500 . 5.900 3.191 3.062 3.347     .  0 0 "[    .    1    .    2]" 1 
       179 1  27 GLY H    1  76 GLU HA   5.000 . 5.000 3.556 3.349 3.733     .  0 0 "[    .    1    .    2]" 1 
       180 1  27 GLY H    1  77 PHE QD   5.000 . 7.000 3.773 3.648 3.872     .  0 0 "[    .    1    .    2]" 1 
       181 1  27 GLY H    1  77 PHE QE   2.900 . 4.900 3.020 2.919 3.124     .  0 0 "[    .    1    .    2]" 1 
       182 1  27 GLY QA   1  28 THR H    2.900 . 3.900 2.229 2.209 2.255     .  0 0 "[    .    1    .    2]" 1 
       183 1  27 GLY QA   1  41 ILE MG   3.500 . 6.000 2.379 2.212 2.565     .  0 0 "[    .    1    .    2]" 1 
       184 1  27 GLY QA   1  44 ASN H    2.900 . 3.900 1.952 1.879 2.084     .  0 0 "[    .    1    .    2]" 1 
       185 1  27 GLY QA   1  75 VAL QG   5.000 . 8.400 3.735 3.577 3.945     .  0 0 "[    .    1    .    2]" 1 
       186 1  28 THR H    1  28 THR HB   2.900 . 2.900 2.577 2.563 2.607     .  0 0 "[    .    1    .    2]" 1 
       187 1  28 THR H    1  28 THR MG   3.500 . 5.000 3.839 3.833 3.851     .  0 0 "[    .    1    .    2]" 1 
       188 1  28 THR H    1  41 ILE MG   2.900 . 4.400 3.032 2.911 3.132     .  0 0 "[    .    1    .    2]" 1 
       189 1  28 THR H    1  42 ASN H    3.500 . 3.500 3.440 3.308 3.560 0.060  4 0 "[    .    1    .    2]" 1 
       190 1  28 THR H    1  42 ASN QB   5.000 . 6.000 3.386 3.153 3.617     .  0 0 "[    .    1    .    2]" 1 
       191 1  28 THR H    1  43 ARG HA   5.000 . 5.000 3.738 3.507 3.951     .  0 0 "[    .    1    .    2]" 1 
       192 1  28 THR H    1  44 ASN H    3.500 . 3.500 3.780 3.716 3.842 0.342  1 0 "[    .    1    .    2]" 1 
       193 1  28 THR HA   1  29 VAL H    2.900 . 2.900 2.182 2.170 2.195     .  0 0 "[    .    1    .    2]" 1 
       194 1  28 THR HA   1  29 VAL QG   5.000 . 7.400 3.557 3.520 3.609     .  0 0 "[    .    1    .    2]" 1 
       195 1  28 THR HA   1  74 THR MG   5.000 . 6.500 3.555 3.477 3.633     .  0 0 "[    .    1    .    2]" 1 
       196 1  28 THR HA   1  75 VAL H    3.500 . 3.500 3.416 3.261 3.521 0.021 19 0 "[    .    1    .    2]" 1 
       197 1  28 THR HA   1  75 VAL QG   5.000 . 7.400 3.705 3.528 3.811     .  0 0 "[    .    1    .    2]" 1 
       198 1  28 THR HB   1  29 VAL H    5.000 . 5.000 4.152 4.126 4.174     .  0 0 "[    .    1    .    2]" 1 
       199 1  28 THR MG   1  29 VAL H    2.900 . 4.400 2.553 2.515 2.587     .  0 0 "[    .    1    .    2]" 1 
       200 1  28 THR MG   1  29 VAL HB   5.000 . 6.500 3.924 3.788 4.016     .  0 0 "[    .    1    .    2]" 1 
       201 1  28 THR MG   1  72 GLY H    3.500 . 5.000 3.442 3.074 3.847     .  0 0 "[    .    1    .    2]" 1 
       202 1  28 THR MG   1  72 GLY QA   2.700 . 5.200 2.572 2.327 2.705     .  0 0 "[    .    1    .    2]" 1 
       203 1  28 THR MG   1  73 GLU H    3.500 . 5.000 3.802 3.572 4.055     .  0 0 "[    .    1    .    2]" 1 
       204 1  28 THR MG   1  74 THR HA   5.000 . 6.500 3.512 3.324 3.651     .  0 0 "[    .    1    .    2]" 1 
       205 1  29 VAL H    1  29 VAL HB   2.900 . 2.900 2.538 2.510 2.564     .  0 0 "[    .    1    .    2]" 1 
       206 1  29 VAL H    1  29 VAL QG   2.900 . 4.600 2.115 2.066 2.165     .  0 0 "[    .    1    .    2]" 1 
       207 1  29 VAL H    1  30 LYS H    5.000 . 5.000 4.400 4.293 4.487     .  0 0 "[    .    1    .    2]" 1 
       208 1  29 VAL H    1  41 ILE MG   5.000 . 6.500 3.523 3.379 3.668     .  0 0 "[    .    1    .    2]" 1 
       209 1  29 VAL H    1  72 GLY H    5.000 . 5.000 3.676 3.588 3.745     .  0 0 "[    .    1    .    2]" 1 
       210 1  29 VAL H    1  73 GLU H    3.500 . 3.500 3.503 3.417 3.576 0.076 11 0 "[    .    1    .    2]" 1 
       211 1  29 VAL H    1  74 THR HA   3.500 . 3.500 3.537 3.508 3.577 0.077 11 0 "[    .    1    .    2]" 1 
       212 1  29 VAL H    1  75 VAL H    5.000 . 5.000 4.278 4.206 4.363     .  0 0 "[    .    1    .    2]" 1 
       213 1  29 VAL H    1  75 VAL QG   5.000 . 7.400 3.490 3.352 3.601     .  0 0 "[    .    1    .    2]" 1 
       214 1  29 VAL HA   1  30 LYS H    2.900 . 2.900 2.167 2.141 2.195     .  0 0 "[    .    1    .    2]" 1 
       215 1  29 VAL HA   1  31 TRP H    3.500 . 3.500 3.738 3.658 3.851 0.351  7 0 "[    .    1    .    2]" 1 
       216 1  29 VAL HA   1  41 ILE H    5.000 . 5.000 4.954 4.858 5.049 0.049 11 0 "[    .    1    .    2]" 1 
       217 1  29 VAL HA   1  41 ILE MG   3.500 . 5.000 2.562 2.382 2.766     .  0 0 "[    .    1    .    2]" 1 
       218 1  29 VAL HA   1  42 ASN H    3.500 . 3.500 3.324 3.191 3.462     .  0 0 "[    .    1    .    2]" 1 
       219 1  29 VAL HB   1  72 GLY H    2.900 . 2.900 2.424 1.909 2.767     .  0 0 "[    .    1    .    2]" 1 
       220 1  29 VAL HB   1  73 GLU H    2.900 . 2.900 2.787 2.492 2.953 0.053 11 0 "[    .    1    .    2]" 1 
       221 1  29 VAL QG   1  30 LYS H    2.900 . 5.300 2.932 2.798 3.100     .  0 0 "[    .    1    .    2]" 1 
       222 1  29 VAL QG   1  31 TRP H    2.900 . 5.300 2.555 2.259 2.804     .  0 0 "[    .    1    .    2]" 1 
       223 1  29 VAL QG   1  32 PHE H    3.500 . 5.900 3.606 3.437 3.712     .  0 0 "[    .    1    .    2]" 1 
       224 1  29 VAL QG   1  32 PHE QB   5.000 . 8.400 2.146 1.912 2.637     .  0 0 "[    .    1    .    2]" 1 
       225 1  29 VAL QG   1  32 PHE QD   5.000 . 9.400 3.181 2.923 3.557     .  0 0 "[    .    1    .    2]" 1 
       226 1  29 VAL QG   1  32 PHE QE   5.000 . 9.400 4.679 4.426 5.130     .  0 0 "[    .    1    .    2]" 1 
       227 1  29 VAL QG   1  40 PHE H    5.000 . 7.400 3.637 3.369 3.839     .  0 0 "[    .    1    .    2]" 1 
       228 1  29 VAL QG   1  41 ILE HA   5.000 . 7.400 3.153 3.083 3.229     .  0 0 "[    .    1    .    2]" 1 
       229 1  29 VAL QG   1  41 ILE MD   3.500 . 7.400 2.439 2.128 2.682     .  0 0 "[    .    1    .    2]" 1 
       230 1  29 VAL QG   1  41 ILE QG   3.500 . 6.900 1.692 1.543 1.796 0.257  8 0 "[    .    1    .    2]" 1 
       231 1  29 VAL QG   1  41 ILE MG   3.500 . 7.400 2.683 2.564 2.798     .  0 0 "[    .    1    .    2]" 1 
       232 1  29 VAL QG   1  42 ASN H    5.000 . 7.400 4.342 4.269 4.436     .  0 0 "[    .    1    .    2]" 1 
       233 1  29 VAL QG   1  69 VAL HA   5.000 . 7.400 4.679 4.425 4.955     .  0 0 "[    .    1    .    2]" 1 
       234 1  29 VAL QG   1  69 VAL HB   5.000 . 7.400 3.113 2.647 3.952     .  0 0 "[    .    1    .    2]" 1 
       235 1  29 VAL QG   1  69 VAL QG   2.700 . 7.500 1.837 1.705 2.005 0.095  2 0 "[    .    1    .    2]" 1 
       236 1  29 VAL QG   1  71 ASP H    3.500 . 5.900 4.351 4.210 4.463     .  0 0 "[    .    1    .    2]" 1 
       237 1  29 VAL QG   1  71 ASP HA   2.700 . 5.100 2.522 2.386 2.665     .  0 0 "[    .    1    .    2]" 1 
       238 1  29 VAL QG   1  72 GLY H    2.900 . 5.300 3.109 2.738 3.407     .  0 0 "[    .    1    .    2]" 1 
       239 1  29 VAL QG   1  73 GLU H    2.900 . 5.300 3.436 3.034 3.609     .  0 0 "[    .    1    .    2]" 1 
       240 1  29 VAL QG   1  73 GLU QB   5.000 . 8.400 3.284 2.761 3.655     .  0 0 "[    .    1    .    2]" 1 
       241 1  29 VAL QG   1  73 GLU QG   5.000 . 8.400 4.540 4.012 4.784     .  0 0 "[    .    1    .    2]" 1 
       242 1  29 VAL QG   1  75 VAL QG   2.700 . 7.500 2.221 2.115 2.433     .  0 0 "[    .    1    .    2]" 1 
       243 1  30 LYS H    1  30 LYS QB   2.900 . 3.500 2.370 2.309 2.463     .  0 0 "[    .    1    .    2]" 1 
       244 1  30 LYS H    1  30 LYS QD   5.000 . 6.000 4.214 3.780 4.516     .  0 0 "[    .    1    .    2]" 1 
       245 1  30 LYS H    1  30 LYS QG   3.500 . 4.500 3.503 2.392 4.103     .  0 0 "[    .    1    .    2]" 1 
       246 1  30 LYS H    1  31 TRP H    2.900 . 2.900 2.447 2.181 2.557     .  0 0 "[    .    1    .    2]" 1 
       247 1  30 LYS H    1  40 PHE H    5.000 . 5.000 4.649 4.433 4.947     .  0 0 "[    .    1    .    2]" 1 
       248 1  30 LYS H    1  41 ILE H    5.000 . 5.000 4.910 4.613 5.053 0.053  3 0 "[    .    1    .    2]" 1 
       249 1  30 LYS H    1  41 ILE HA   2.900 . 2.900 2.448 2.128 2.610     .  0 0 "[    .    1    .    2]" 1 
       250 1  30 LYS H    1  41 ILE HG12 5.000 . 5.000 4.105 3.706 4.364     .  0 0 "[    .    1    .    2]" 1 
       251 1  30 LYS H    1  41 ILE MG   5.000 . 6.500 3.810 3.608 3.918     .  0 0 "[    .    1    .    2]" 1 
       252 1  30 LYS H    1  42 ASN H    3.500 . 3.500 2.987 2.820 3.250     .  0 0 "[    .    1    .    2]" 1 
       253 1  30 LYS HA   1  31 TRP H    3.500 . 3.500 3.593 3.558 3.613 0.113 15 0 "[    .    1    .    2]" 1 
       254 1  30 LYS QB   1  31 TRP H    2.900 . 3.900 2.491 2.417 2.613     .  0 0 "[    .    1    .    2]" 1 
       255 1  30 LYS QD   1  31 TRP H    5.000 . 6.000 4.706 4.483 5.040     .  0 0 "[    .    1    .    2]" 1 
       256 1  30 LYS QD   1  31 TRP HE1  5.000 . 6.000 4.347 3.229 5.447     .  0 0 "[    .    1    .    2]" 1 
       257 1  30 LYS QE   1  31 TRP HE1  5.000 . 6.000 3.561 1.984 5.434     .  0 0 "[    .    1    .    2]" 1 
       258 1  30 LYS QG   1  31 TRP H    3.500 . 4.500 3.827 3.630 4.159     .  0 0 "[    .    1    .    2]" 1 
       259 1  30 LYS QG   1  31 TRP HE1  5.000 . 6.000 3.929 2.773 5.437     .  0 0 "[    .    1    .    2]" 1 
       260 1  31 TRP H    1  31 TRP HD1  5.000 . 5.000 3.897 2.632 5.060 0.060 11 0 "[    .    1    .    2]" 1 
       261 1  31 TRP H    1  32 PHE H    5.000 . 5.000 4.300 4.235 4.336     .  0 0 "[    .    1    .    2]" 1 
       262 1  31 TRP H    1  40 PHE H    2.900 . 2.900 3.088 3.049 3.124 0.224 16 0 "[    .    1    .    2]" 1 
       263 1  31 TRP H    1  41 ILE HA   5.000 . 5.000 4.077 3.879 4.265     .  0 0 "[    .    1    .    2]" 1 
       264 1  31 TRP HA   1  32 PHE H    2.900 . 2.900 2.243 2.178 2.340     .  0 0 "[    .    1    .    2]" 1 
       265 1  31 TRP QB   1  32 PHE H    2.900 . 3.900 2.748 2.429 2.992     .  0 0 "[    .    1    .    2]" 1 
       266 1  32 PHE H    1  32 PHE QB   3.500 . 4.100 2.776 2.706 2.843     .  0 0 "[    .    1    .    2]" 1 
       267 1  32 PHE H    1  32 PHE QD   5.000 . 7.000 4.438 4.408 4.470     .  0 0 "[    .    1    .    2]" 1 
       268 1  32 PHE H    1  33 ASN H    5.000 . 5.000 4.053 3.936 4.119     .  0 0 "[    .    1    .    2]" 1 
       269 1  32 PHE H    1  33 ASN QB   5.000 . 6.000 5.227 4.581 5.524     .  0 0 "[    .    1    .    2]" 1 
       270 1  32 PHE H    1  69 VAL QG   5.000 . 7.400 4.941 4.591 5.587     .  0 0 "[    .    1    .    2]" 1 
       271 1  32 PHE HA   1  33 ASN H    2.900 . 2.900 2.175 2.159 2.194     .  0 0 "[    .    1    .    2]" 1 
       272 1  32 PHE HA   1  38 TYR H    5.000 . 5.000 5.143 5.072 5.243 0.243  8 0 "[    .    1    .    2]" 1 
       273 1  32 PHE HA   1  40 PHE H    3.500 . 3.500 3.446 3.353 3.536 0.036  1 0 "[    .    1    .    2]" 1 
       274 1  32 PHE QB   1  33 ASN H    5.000 . 6.000 3.833 3.790 3.870     .  0 0 "[    .    1    .    2]" 1 
       275 1  32 PHE QD   1  33 ASN H    5.000 . 7.000 3.663 3.496 3.780     .  0 0 "[    .    1    .    2]" 1 
       276 1  32 PHE QD   1  34 VAL HA   5.000 . 7.000 3.324 2.977 3.763     .  0 0 "[    .    1    .    2]" 1 
       277 1  32 PHE QD   1  34 VAL QG   3.500 . 7.900 2.875 2.603 3.086     .  0 0 "[    .    1    .    2]" 1 
       278 1  32 PHE QD   1  39 GLY H    5.000 . 7.000 3.730 3.422 4.150     .  0 0 "[    .    1    .    2]" 1 
       279 1  32 PHE QD   1  52 VAL QG   5.000 . 9.400 2.519 2.189 3.494     .  0 0 "[    .    1    .    2]" 1 
       280 1  32 PHE QD   1  68 SER HA   5.000 . 7.000 3.565 2.908 4.074     .  0 0 "[    .    1    .    2]" 1 
       281 1  32 PHE QD   1  68 SER QB   5.000 . 8.000 3.018 2.268 4.132     .  0 0 "[    .    1    .    2]" 1 
       282 1  32 PHE QD   1  69 VAL QG   5.000 . 9.400 2.646 2.417 3.069     .  0 0 "[    .    1    .    2]" 1 
       283 1  32 PHE QE   1  34 VAL QG   5.000 . 9.400 3.069 2.509 3.413     .  0 0 "[    .    1    .    2]" 1 
       284 1  32 PHE QE   1  52 VAL QG   5.000 . 9.400 2.224 1.946 2.778     .  0 0 "[    .    1    .    2]" 1 
       285 1  32 PHE QE   1  57 ILE MD   5.000 . 8.500 3.540 3.072 3.852     .  0 0 "[    .    1    .    2]" 1 
       286 1  32 PHE QE   1  68 SER HA   5.000 . 7.000 2.442 2.114 3.057     .  0 0 "[    .    1    .    2]" 1 
       287 1  32 PHE HZ   1  34 VAL HA   5.000 . 5.000 4.822 4.328 5.033 0.033  7 0 "[    .    1    .    2]" 1 
       288 1  32 PHE HZ   1  37 GLY QA   5.000 . 6.000 3.692 2.898 4.289     .  0 0 "[    .    1    .    2]" 1 
       289 1  32 PHE HZ   1  54 GLN HA   5.000 . 5.000 3.003 2.323 3.584     .  0 0 "[    .    1    .    2]" 1 
       290 1  32 PHE HZ   1  54 GLN QB   5.000 . 6.000 3.230 2.220 4.769     .  0 0 "[    .    1    .    2]" 1 
       291 1  32 PHE HZ   1  54 GLN QG   5.000 . 6.000 3.821 2.216 4.993     .  0 0 "[    .    1    .    2]" 1 
       292 1  32 PHE HZ   1  57 ILE MD   5.000 . 6.500 3.284 2.710 4.148     .  0 0 "[    .    1    .    2]" 1 
       293 1  32 PHE HZ   1  68 SER HA   5.000 . 5.000 3.308 2.704 4.111     .  0 0 "[    .    1    .    2]" 1 
       294 1  33 ASN H    1  33 ASN QB   2.900 . 3.500 2.468 2.427 2.568     .  0 0 "[    .    1    .    2]" 1 
       295 1  33 ASN H    1  38 TYR H    3.500 . 3.500 3.608 3.539 3.656 0.156 18 0 "[    .    1    .    2]" 1 
       296 1  33 ASN H    1  39 GLY QA   3.500 . 4.500 2.830 2.738 2.886     .  0 0 "[    .    1    .    2]" 1 
       297 1  33 ASN H    1  40 PHE H    5.000 . 5.000 5.044 4.970 5.115 0.115 10 0 "[    .    1    .    2]" 1 
       298 1  33 ASN HA   1  35 ARG H    5.000 . 5.000 3.777 3.696 3.854     .  0 0 "[    .    1    .    2]" 1 
       299 1  33 ASN QB   1  36 ASN H    5.000 . 6.000 2.323 2.203 2.574     .  0 0 "[    .    1    .    2]" 1 
       300 1  33 ASN QB   1  37 GLY H    5.000 . 6.000 3.502 3.264 3.659     .  0 0 "[    .    1    .    2]" 1 
       301 1  33 ASN QB   1  38 TYR H    3.500 . 4.500 3.435 2.958 3.679     .  0 0 "[    .    1    .    2]" 1 
       302 1  34 VAL HA   1  35 ARG H    5.000 . 5.000 3.580 3.572 3.589     .  0 0 "[    .    1    .    2]" 1 
       303 1  34 VAL HA   1  37 GLY H    3.500 . 3.500 3.303 3.159 3.387     .  0 0 "[    .    1    .    2]" 1 
       304 1  34 VAL HB   1  35 ARG H    3.500 . 3.500 2.619 2.576 2.651     .  0 0 "[    .    1    .    2]" 1 
       305 1  34 VAL QG   1  35 ARG H    3.500 . 5.900 3.194 3.166 3.214     .  0 0 "[    .    1    .    2]" 1 
       306 1  34 VAL QG   1  35 ARG HA   5.000 . 7.400 3.220 3.164 3.263     .  0 0 "[    .    1    .    2]" 1 
       307 1  34 VAL QG   1  66 LEU QD   2.700 . 7.500 4.094 4.026 4.152     .  0 0 "[    .    1    .    2]" 1 
       308 1  34 VAL QG   1  68 SER QB   5.000 . 8.400 2.039 1.766 2.416 0.034 15 0 "[    .    1    .    2]" 1 
       309 1  34 VAL QG   1 102 SER H    5.000 . 7.400 4.550 3.834 5.090     .  0 0 "[    .    1    .    2]" 1 
       310 1  34 VAL QG   1 102 SER QB   3.500 . 6.900 3.114 2.367 3.618     .  0 0 "[    .    1    .    2]" 1 
       311 1  34 VAL QG   1 104 TYR QB   5.000 . 8.400 4.775 3.304 5.386     .  0 0 "[    .    1    .    2]" 1 
       312 1  34 VAL QG   1 105 ALA HA   3.500 . 5.900 2.689 2.169 3.682     .  0 0 "[    .    1    .    2]" 1 
       313 1  34 VAL QG   1 105 ALA MB   2.700 . 6.600 2.746 2.137 3.698     .  0 0 "[    .    1    .    2]" 1 
       314 1  35 ARG H    1  35 ARG HA   2.900 . 2.900 2.845 2.833 2.860     .  0 0 "[    .    1    .    2]" 1 
       315 1  35 ARG H    1  35 ARG QB   2.900 . 3.500 2.400 2.295 2.531     .  0 0 "[    .    1    .    2]" 1 
       316 1  35 ARG H    1  35 ARG QD   5.000 . 6.000 4.188 3.661 4.767     .  0 0 "[    .    1    .    2]" 1 
       317 1  35 ARG H    1  35 ARG QG   3.500 . 4.500 2.932 2.186 4.085     .  0 0 "[    .    1    .    2]" 1 
       318 1  35 ARG H    1  36 ASN H    2.900 . 2.900 2.718 2.643 2.796     .  0 0 "[    .    1    .    2]" 1 
       319 1  35 ARG H    1  37 GLY H    5.000 . 5.000 3.896 3.855 3.998     .  0 0 "[    .    1    .    2]" 1 
       320 1  35 ARG HA   1  36 ASN H    3.500 . 3.500 3.606 3.544 3.626 0.126  3 0 "[    .    1    .    2]" 1 
       321 1  35 ARG HA   1  37 GLY H    5.000 . 5.000 4.279 4.197 4.477     .  0 0 "[    .    1    .    2]" 1 
       322 1  35 ARG QB   1  36 ASN H    2.900 . 3.900 2.729 2.528 3.677     .  0 0 "[    .    1    .    2]" 1 
       323 1  35 ARG QB   1  37 GLY H    5.000 . 6.000 4.573 4.490 5.098     .  0 0 "[    .    1    .    2]" 1 
       324 1  35 ARG QG   1  36 ASN H    5.000 . 6.000 3.848 2.403 4.245     .  0 0 "[    .    1    .    2]" 1 
       325 1  36 ASN H    1  36 ASN QB   2.900 . 3.500 2.429 2.390 2.525     .  0 0 "[    .    1    .    2]" 1 
       326 1  36 ASN H    1  37 GLY H    2.900 . 2.900 2.367 2.110 2.436     .  0 0 "[    .    1    .    2]" 1 
       327 1  36 ASN H    1  38 TYR H    3.500 . 3.500 3.774 3.617 3.829 0.329  6 0 "[    .    1    .    2]" 1 
       328 1  36 ASN HA   1  37 GLY H    3.500 . 3.500 3.530 3.501 3.539 0.039 13 0 "[    .    1    .    2]" 1 
       329 1  36 ASN QB   1  37 GLY H    3.500 . 4.500 2.834 2.808 2.968     .  0 0 "[    .    1    .    2]" 1 
       330 1  36 ASN QB   1  38 TYR H    3.500 . 4.500 2.381 2.307 2.517     .  0 0 "[    .    1    .    2]" 1 
       331 1  37 GLY H    1  38 TYR H    2.900 . 2.900 2.302 2.280 2.390     .  0 0 "[    .    1    .    2]" 1 
       332 1  37 GLY QA   1  38 TYR H    3.500 . 4.500 2.934 2.915 2.950     .  0 0 "[    .    1    .    2]" 1 
       333 1  38 TYR H    1  38 TYR QB   3.500 . 4.100 3.237 2.786 3.355     .  0 0 "[    .    1    .    2]" 1 
       334 1  38 TYR H    1  38 TYR QD   3.500 . 5.500 3.463 3.392 3.564     .  0 0 "[    .    1    .    2]" 1 
       335 1  38 TYR H    1  38 TYR QE   2.900 . 4.900 4.758 4.681 4.967 0.067 10 0 "[    .    1    .    2]" 1 
       336 1  38 TYR H    1  39 GLY H    5.000 . 5.000 4.398 4.376 4.461     .  0 0 "[    .    1    .    2]" 1 
       337 1  38 TYR HA   1  39 GLY H    2.900 . 2.900 2.433 2.321 2.471     .  0 0 "[    .    1    .    2]" 1 
       338 1  38 TYR QB   1  39 GLY H    2.900 . 3.900 2.306 2.215 2.633     .  0 0 "[    .    1    .    2]" 1 
       339 1  38 TYR QB   1  53 HIS HD2  5.000 . 6.000 3.041 2.292 5.028     .  0 0 "[    .    1    .    2]" 1 
       340 1  38 TYR QB   1  54 GLN H    5.000 . 6.000 4.168 3.441 5.305     .  0 0 "[    .    1    .    2]" 1 
       341 1  38 TYR QD   1  53 HIS HD2  5.000 . 7.000 3.564 2.345 5.638     .  0 0 "[    .    1    .    2]" 1 
       342 1  39 GLY H    1  40 PHE H    5.000 . 5.000 4.301 4.248 4.381     .  0 0 "[    .    1    .    2]" 1 
       343 1  39 GLY H    1  52 VAL H    3.500 . 3.500 3.173 2.972 3.363     .  0 0 "[    .    1    .    2]" 1 
       344 1  39 GLY H    1  52 VAL QG   2.900 . 5.300 2.513 2.183 3.757     .  0 0 "[    .    1    .    2]" 1 
       345 1  39 GLY QA   1  40 PHE H    2.900 . 3.900 2.287 2.259 2.309     .  0 0 "[    .    1    .    2]" 1 
       346 1  40 PHE H    1  40 PHE QB   3.500 . 4.100 2.667 2.619 2.693     .  0 0 "[    .    1    .    2]" 1 
       347 1  40 PHE H    1  40 PHE QD   5.000 . 7.000 3.071 2.957 3.125     .  0 0 "[    .    1    .    2]" 1 
       348 1  40 PHE H    1  41 ILE H    5.000 . 5.000 4.385 4.341 4.417     .  0 0 "[    .    1    .    2]" 1 
       349 1  40 PHE H    1  52 VAL QG   3.500 . 5.900 3.716 3.531 4.355     .  0 0 "[    .    1    .    2]" 1 
       350 1  40 PHE HA   1  41 ILE H    2.900 . 2.900 2.188 2.170 2.201     .  0 0 "[    .    1    .    2]" 1 
       351 1  40 PHE HA   1  50 VAL H    5.000 . 5.000 4.374 4.198 4.674     .  0 0 "[    .    1    .    2]" 1 
       352 1  40 PHE HA   1  52 VAL H    3.500 . 3.500 3.137 2.838 3.427     .  0 0 "[    .    1    .    2]" 1 
       353 1  40 PHE HA   1  52 VAL QG   3.500 . 5.900 2.931 2.725 3.197     .  0 0 "[    .    1    .    2]" 1 
       354 1  40 PHE QB   1  41 ILE H    3.500 . 4.500 2.933 2.850 3.037     .  0 0 "[    .    1    .    2]" 1 
       355 1  40 PHE QB   1  50 VAL H    5.000 . 6.000 3.809 3.451 4.035     .  0 0 "[    .    1    .    2]" 1 
       356 1  40 PHE QD   1  41 ILE H    5.000 . 7.000 3.954 3.797 4.089     .  0 0 "[    .    1    .    2]" 1 
       357 1  40 PHE QD   1  49 ASP QB   5.000 . 8.000 3.208 2.858 3.933     .  0 0 "[    .    1    .    2]" 1 
       358 1  40 PHE QD   1  51 PHE HA   5.000 . 7.000 3.118 2.657 3.501     .  0 0 "[    .    1    .    2]" 1 
       359 1  40 PHE QD   1  52 VAL QG   3.500 . 7.900 4.769 4.627 4.894     .  0 0 "[    .    1    .    2]" 1 
       360 1  41 ILE H    1  41 ILE HB   2.900 . 2.900 2.648 2.617 2.690     .  0 0 "[    .    1    .    2]" 1 
       361 1  41 ILE H    1  41 ILE MD   5.000 . 6.500 3.998 3.964 4.052     .  0 0 "[    .    1    .    2]" 1 
       362 1  41 ILE H    1  41 ILE HG12 5.000 . 5.000 4.067 4.018 4.133     .  0 0 "[    .    1    .    2]" 1 
       363 1  41 ILE H    1  41 ILE MG   3.500 . 5.000 3.846 3.834 3.863     .  0 0 "[    .    1    .    2]" 1 
       364 1  41 ILE H    1  42 ASN H    5.000 . 5.000 4.351 4.317 4.372     .  0 0 "[    .    1    .    2]" 1 
       365 1  41 ILE H    1  49 ASP HA   5.000 . 5.000 4.563 4.351 4.848     .  0 0 "[    .    1    .    2]" 1 
       366 1  41 ILE H    1  50 VAL H    2.900 . 2.900 2.834 2.686 3.035 0.135 18 0 "[    .    1    .    2]" 1 
       367 1  41 ILE H    1  50 VAL HB   3.500 . 3.500 3.477 3.231 3.611 0.111  7 0 "[    .    1    .    2]" 1 
       368 1  41 ILE H    1  50 VAL QG   3.500 . 5.900 3.991 3.870 4.064     .  0 0 "[    .    1    .    2]" 1 
       369 1  41 ILE H    1  51 PHE HA   5.000 . 5.000 3.811 3.559 4.137     .  0 0 "[    .    1    .    2]" 1 
       370 1  41 ILE H    1  52 VAL H    5.000 . 5.000 4.200 3.929 4.476     .  0 0 "[    .    1    .    2]" 1 
       371 1  41 ILE H    1  52 VAL QG   3.500 . 5.900 3.322 2.403 3.750     .  0 0 "[    .    1    .    2]" 1 
       372 1  41 ILE HA   1  42 ASN H    2.900 . 2.900 2.186 2.158 2.202     .  0 0 "[    .    1    .    2]" 1 
       373 1  41 ILE HB   1  50 VAL H    5.000 . 5.000 3.917 3.685 4.331     .  0 0 "[    .    1    .    2]" 1 
       374 1  41 ILE MD   1  52 VAL HB   2.700 . 4.200 2.363 2.020 3.437     .  0 0 "[    .    1    .    2]" 1 
       375 1  41 ILE MD   1  52 VAL QG   2.700 . 6.600 1.987 1.829 2.129     .  0 0 "[    .    1    .    2]" 1 
       376 1  41 ILE MD   1  75 VAL QG   2.700 . 6.600 2.257 1.845 2.469     .  0 0 "[    .    1    .    2]" 1 
       377 1  41 ILE MD   1  77 PHE QD   5.000 . 8.500 3.308 3.106 3.495     .  0 0 "[    .    1    .    2]" 1 
       378 1  41 ILE MD   1  77 PHE QE   5.000 . 8.500 3.202 2.985 3.504     .  0 0 "[    .    1    .    2]" 1 
       379 1  41 ILE MD   1  77 PHE HZ   5.000 . 6.500 4.063 3.798 4.417     .  0 0 "[    .    1    .    2]" 1 
       380 1  41 ILE MD   1  88 ALA MB   2.700 . 5.700 2.768 2.517 3.228     .  0 0 "[    .    1    .    2]" 1 
       381 1  41 ILE MD   1  91 VAL QG   2.700 . 6.600 2.522 2.353 2.654     .  0 0 "[    .    1    .    2]" 1 
       382 1  41 ILE QG   1  52 VAL QG   5.000 . 8.400 2.068 1.799 2.333 0.001  8 0 "[    .    1    .    2]" 1 
       383 1  41 ILE QG   1  75 VAL QG   5.000 . 8.400 3.465 3.324 3.630     .  0 0 "[    .    1    .    2]" 1 
       384 1  41 ILE MG   1  42 ASN H    2.900 . 4.400 2.476 2.358 2.607     .  0 0 "[    .    1    .    2]" 1 
       385 1  41 ILE MG   1  43 ARG HA   5.000 . 6.500 3.515 3.335 3.719     .  0 0 "[    .    1    .    2]" 1 
       386 1  41 ILE MG   1  44 ASN H    5.000 . 6.500 4.823 4.670 4.964     .  0 0 "[    .    1    .    2]" 1 
       387 1  41 ILE MG   1  75 VAL QG   2.700 . 6.600 2.609 2.271 2.778     .  0 0 "[    .    1    .    2]" 1 
       388 1  41 ILE MG   1  77 PHE QD   5.000 . 8.500 3.448 3.275 3.570     .  0 0 "[    .    1    .    2]" 1 
       389 1  41 ILE MG   1  77 PHE QE   2.700 . 6.200 1.991 1.845 2.087     .  0 0 "[    .    1    .    2]" 1 
       390 1  41 ILE MG   1  77 PHE HZ   3.500 . 5.000 2.481 2.199 2.840     .  0 0 "[    .    1    .    2]" 1 
       391 1  42 ASN HA   1  43 ARG H    2.900 . 2.900 2.160 2.119 2.186     .  0 0 "[    .    1    .    2]" 1 
       392 1  42 ASN HA   1  50 VAL H    3.500 . 3.500 3.276 2.913 3.487     .  0 0 "[    .    1    .    2]" 1 
       393 1  42 ASN QB   1  43 ARG H    2.900 . 3.900 3.480 2.992 3.879     .  0 0 "[    .    1    .    2]" 1 
       394 1  42 ASN HD22 1  49 ASP H    5.000 . 5.000 4.836 4.207 5.178 0.178  4 0 "[    .    1    .    2]" 1 
       395 1  43 ARG H    1  43 ARG QB   2.900 . 3.500 2.469 2.184 2.845     .  0 0 "[    .    1    .    2]" 1 
       396 1  43 ARG H    1  43 ARG QD   5.000 . 6.000 3.967 3.706 4.985     .  0 0 "[    .    1    .    2]" 1 
       397 1  43 ARG H    1  43 ARG QG   2.900 . 3.900 2.548 1.813 3.900     .  0 0 "[    .    1    .    2]" 1 
       398 1  43 ARG H    1  44 ASN H    5.000 . 5.000 4.596 4.555 4.629     .  0 0 "[    .    1    .    2]" 1 
       399 1  43 ARG H    1  47 LYS H    5.000 . 5.000 4.288 3.993 4.850     .  0 0 "[    .    1    .    2]" 1 
       400 1  43 ARG H    1  48 GLU H    3.500 . 3.500 3.099 2.653 3.691 0.191 11 0 "[    .    1    .    2]" 1 
       401 1  43 ARG H    1  49 ASP HA   3.500 . 3.500 3.393 2.837 3.657 0.157 18 0 "[    .    1    .    2]" 1 
       402 1  43 ARG H    1  50 VAL H    5.000 . 5.000 4.183 3.518 4.451     .  0 0 "[    .    1    .    2]" 1 
       403 1  43 ARG HA   1  44 ASN H    2.900 . 2.900 2.200 2.166 2.235     .  0 0 "[    .    1    .    2]" 1 
       404 1  43 ARG HA   1  45 ASP H    3.500 . 3.500 3.493 3.415 3.535 0.035 15 0 "[    .    1    .    2]" 1 
       405 1  43 ARG QB   1  44 ASN H    3.500 . 4.500 3.165 2.888 3.733     .  0 0 "[    .    1    .    2]" 1 
       406 1  43 ARG QB   1  45 ASP H    2.900 . 3.900 2.381 2.088 3.008     .  0 0 "[    .    1    .    2]" 1 
       407 1  43 ARG QB   1  46 THR H    3.500 . 4.500 2.364 2.044 3.302     .  0 0 "[    .    1    .    2]" 1 
       408 1  43 ARG QD   1  47 LYS H    5.000 . 6.000 4.473 3.417 5.028     .  0 0 "[    .    1    .    2]" 1 
       409 1  43 ARG QD   1  48 GLU H    3.500 . 4.500 3.507 2.757 4.373     .  0 0 "[    .    1    .    2]" 1 
       410 1  43 ARG QD   1  50 VAL QG   3.500 . 6.900 2.542 2.088 4.192     .  0 0 "[    .    1    .    2]" 1 
       411 1  43 ARG QD   1  79 VAL QG   3.500 . 6.900 2.418 1.914 3.668     .  0 0 "[    .    1    .    2]" 1 
       412 1  43 ARG HE   1  45 ASP H    5.000 . 5.000 3.989 3.209 5.115 0.115  7 0 "[    .    1    .    2]" 1 
       413 1  43 ARG HE   1  46 THR H    3.500 . 3.500 3.430 2.193 3.775 0.275 15 0 "[    .    1    .    2]" 1 
       414 1  43 ARG QG   1  44 ASN H    5.000 . 6.000 3.879 2.638 4.356     .  0 0 "[    .    1    .    2]" 1 
       415 1  43 ARG QG   1  45 ASP H    5.000 . 6.000 3.810 1.892 4.279     .  0 0 "[    .    1    .    2]" 1 
       416 1  43 ARG QG   1  46 THR H    5.000 . 6.000 3.823 2.236 4.439     .  0 0 "[    .    1    .    2]" 1 
       417 1  43 ARG QG   1  50 VAL QG   3.500 . 6.900 2.166 1.908 3.423     .  0 0 "[    .    1    .    2]" 1 
       418 1  43 ARG QG   1  79 VAL QG   5.000 . 8.400 3.282 2.941 4.168     .  0 0 "[    .    1    .    2]" 1 
       419 1  44 ASN H    1  44 ASN HA   2.900 . 2.900 2.941 2.918 2.963 0.063  7 0 "[    .    1    .    2]" 1 
       420 1  44 ASN H    1  44 ASN QB   2.900 . 3.500 2.428 2.344 2.692     .  0 0 "[    .    1    .    2]" 1 
       421 1  44 ASN H    1  45 ASP H    2.900 . 2.900 2.422 2.328 2.583     .  0 0 "[    .    1    .    2]" 1 
       422 1  44 ASN HA   1  47 LYS H    5.000 . 5.000 3.642 2.952 3.882     .  0 0 "[    .    1    .    2]" 1 
       423 1  45 ASP H    1  45 ASP HA   2.900 . 2.900 2.952 2.867 2.982 0.082  7 0 "[    .    1    .    2]" 1 
       424 1  45 ASP H    1  45 ASP QB   2.900 . 3.500 2.478 2.307 2.593     .  0 0 "[    .    1    .    2]" 1 
       425 1  45 ASP H    1  46 THR H    2.900 . 2.900 2.261 2.088 2.604     .  0 0 "[    .    1    .    2]" 1 
       426 1  45 ASP H    1  46 THR HA   5.000 . 5.000 4.932 4.782 5.180 0.180 11 0 "[    .    1    .    2]" 1 
       427 1  45 ASP H    1  47 LYS H    3.500 . 3.500 3.200 2.881 3.473     .  0 0 "[    .    1    .    2]" 1 
       428 1  45 ASP HA   1  46 THR H    3.500 . 3.500 3.600 3.569 3.633 0.133  5 0 "[    .    1    .    2]" 1 
       429 1  45 ASP QB   1  46 THR H    5.000 . 6.000 2.712 2.370 2.912     .  0 0 "[    .    1    .    2]" 1 
       430 1  45 ASP QB   1  46 THR MG   5.000 . 7.500 4.037 2.614 4.882     .  0 0 "[    .    1    .    2]" 1 
       431 1  46 THR H    1  46 THR HA   2.900 . 2.900 2.985 2.962 2.991 0.091 14 0 "[    .    1    .    2]" 1 
       432 1  46 THR H    1  46 THR HB   3.500 . 3.500 3.099 2.755 3.800 0.300 11 0 "[    .    1    .    2]" 1 
       433 1  46 THR H    1  46 THR MG   2.900 . 4.400 3.457 2.274 3.979     .  0 0 "[    .    1    .    2]" 1 
       434 1  46 THR H    1  47 LYS H    2.900 . 2.900 1.929 1.678 2.077 0.122 19 0 "[    .    1    .    2]" 1 
       435 1  46 THR H    1  48 GLU H    3.500 . 3.500 3.431 3.084 3.639 0.139 17 0 "[    .    1    .    2]" 1 
       436 1  46 THR HA   1  47 LYS H    3.500 . 3.500 3.418 3.222 3.468     .  0 0 "[    .    1    .    2]" 1 
       437 1  46 THR HA   1  48 GLU H    5.000 . 5.000 4.679 4.352 5.035 0.035  9 0 "[    .    1    .    2]" 1 
       438 1  46 THR HB   1  48 GLU H    5.000 . 5.000 3.291 2.482 5.166 0.166  9 0 "[    .    1    .    2]" 1 
       439 1  46 THR MG   1  47 LYS H    3.500 . 5.000 4.019 2.751 4.191     .  0 0 "[    .    1    .    2]" 1 
       440 1  46 THR MG   1  48 GLU H    3.500 . 5.000 3.899 2.079 4.337     .  0 0 "[    .    1    .    2]" 1 
       441 1  47 LYS H    1  47 LYS HA   2.900 . 2.900 2.297 2.285 2.304     .  0 0 "[    .    1    .    2]" 1 
       442 1  47 LYS H    1  47 LYS QB   3.500 . 4.100 3.393 3.252 3.495     .  0 0 "[    .    1    .    2]" 1 
       443 1  47 LYS H    1  47 LYS QD   2.900 . 3.900 2.533 2.356 2.882     .  0 0 "[    .    1    .    2]" 1 
       444 1  47 LYS H    1  47 LYS QE   5.000 . 6.000 4.486 4.222 4.746     .  0 0 "[    .    1    .    2]" 1 
       445 1  47 LYS H    1  47 LYS QG   3.500 . 4.500 3.510 2.968 4.049     .  0 0 "[    .    1    .    2]" 1 
       446 1  47 LYS H    1  48 GLU H    2.900 . 2.900 2.504 2.413 2.688     .  0 0 "[    .    1    .    2]" 1 
       447 1  47 LYS HA   1  48 GLU H    2.900 . 2.900 2.836 2.638 3.015 0.115 11 0 "[    .    1    .    2]" 1 
       448 1  47 LYS QB   1  48 GLU H    2.900 . 3.900 3.820 3.729 3.893     .  0 0 "[    .    1    .    2]" 1 
       449 1  47 LYS QD   1  48 GLU H    3.500 . 4.500 4.281 4.216 4.434     .  0 0 "[    .    1    .    2]" 1 
       450 1  48 GLU H    1  48 GLU HA   2.900 . 2.900 2.978 2.961 2.989 0.089 13 0 "[    .    1    .    2]" 1 
       451 1  48 GLU H    1  48 GLU QB   2.900 . 3.500 2.517 2.431 2.684     .  0 0 "[    .    1    .    2]" 1 
       452 1  48 GLU H    1  48 GLU QG   2.900 . 3.900 3.002 2.663 3.526     .  0 0 "[    .    1    .    2]" 1 
       453 1  48 GLU H    1  49 ASP H    5.000 . 5.000 4.409 2.129 4.599     .  0 0 "[    .    1    .    2]" 1 
       454 1  48 GLU HA   1  49 ASP H    2.900 . 2.900 2.352 2.216 3.323 0.423 19 0 "[    .    1    .    2]" 1 
       455 1  48 GLU QB   1  49 ASP H    2.900 . 3.900 2.688 2.284 3.239     .  0 0 "[    .    1    .    2]" 1 
       456 1  48 GLU QG   1  49 ASP H    3.500 . 4.500 3.870 3.198 4.264     .  0 0 "[    .    1    .    2]" 1 
       457 1  49 ASP H    1  49 ASP HA   2.900 . 2.900 2.904 2.301 2.963 0.063  8 0 "[    .    1    .    2]" 1 
       458 1  49 ASP H    1  49 ASP QB   2.900 . 3.500 2.592 2.401 3.155     .  0 0 "[    .    1    .    2]" 1 
       459 1  49 ASP H    1  50 VAL H    5.000 . 5.000 4.570 4.039 4.637     .  0 0 "[    .    1    .    2]" 1 
       460 1  49 ASP HA   1  50 VAL H    2.900 . 2.900 2.217 2.184 2.249     .  0 0 "[    .    1    .    2]" 1 
       461 1  49 ASP QB   1  50 VAL H    3.500 . 4.500 2.924 2.702 3.532     .  0 0 "[    .    1    .    2]" 1 
       462 1  50 VAL H    1  50 VAL HB   2.900 . 2.900 2.782 2.741 2.817     .  0 0 "[    .    1    .    2]" 1 
       463 1  50 VAL H    1  50 VAL QG   2.900 . 4.600 2.625 2.574 2.660     .  0 0 "[    .    1    .    2]" 1 
       464 1  50 VAL HA   1  51 PHE H    2.900 . 2.900 2.229 2.208 2.260     .  0 0 "[    .    1    .    2]" 1 
       465 1  50 VAL HA   1  86 ALA MB   5.000 . 6.500 2.753 2.472 3.345     .  0 0 "[    .    1    .    2]" 1 
       466 1  50 VAL HB   1  51 PHE H    3.500 . 3.500 3.833 3.780 3.878 0.378  8 0 "[    .    1    .    2]" 1 
       467 1  50 VAL QG   1  51 PHE H    2.900 . 5.300 2.171 2.099 2.225     .  0 0 "[    .    1    .    2]" 1 
       468 1  50 VAL QG   1  77 PHE QD   5.000 . 9.400 3.417 3.267 3.598     .  0 0 "[    .    1    .    2]" 1 
       469 1  50 VAL QG   1  77 PHE QE   3.500 . 7.900 2.062 1.904 2.176     .  0 0 "[    .    1    .    2]" 1 
       470 1  50 VAL QG   1  77 PHE HZ   5.000 . 7.400 2.751 2.401 2.898     .  0 0 "[    .    1    .    2]" 1 
       471 1  50 VAL QG   1  86 ALA MB   2.700 . 6.600 2.237 1.888 2.860     .  0 0 "[    .    1    .    2]" 1 
       472 1  50 VAL QG   1  87 GLU H    3.500 . 5.900 3.532 3.383 3.804     .  0 0 "[    .    1    .    2]" 1 
       473 1  50 VAL QG   1  87 GLU HA   2.700 . 5.100 2.743 2.313 2.946     .  0 0 "[    .    1    .    2]" 1 
       474 1  50 VAL QG   1  88 ALA H    2.900 . 5.300 2.423 2.317 2.499     .  0 0 "[    .    1    .    2]" 1 
       475 1  50 VAL QG   1  88 ALA HA   5.000 . 7.400 2.760 2.600 2.921     .  0 0 "[    .    1    .    2]" 1 
       476 1  51 PHE H    1  51 PHE HA   2.900 . 2.900 2.947 2.923 2.960 0.060 15 0 "[    .    1    .    2]" 1 
       477 1  51 PHE H    1  51 PHE QB   2.900 . 3.500 2.343 2.321 2.366     .  0 0 "[    .    1    .    2]" 1 
       478 1  51 PHE H    1  51 PHE QD   3.500 . 5.500 4.242 4.220 4.263     .  0 0 "[    .    1    .    2]" 1 
       479 1  51 PHE H    1  52 VAL H    5.000 . 5.000 4.564 4.538 4.606     .  0 0 "[    .    1    .    2]" 1 
       480 1  51 PHE H    1  87 GLU HA   2.900 . 2.900 2.946 2.410 3.076 0.176 10 0 "[    .    1    .    2]" 1 
       481 1  51 PHE H    1  87 GLU QB   5.000 . 6.000 4.768 4.039 4.930     .  0 0 "[    .    1    .    2]" 1 
       482 1  51 PHE H    1  87 GLU QG   5.000 . 6.000 4.864 4.680 5.568     .  0 0 "[    .    1    .    2]" 1 
       483 1  51 PHE H    1  88 ALA H    5.000 . 5.000 3.822 3.657 3.958     .  0 0 "[    .    1    .    2]" 1 
       484 1  51 PHE HA   1  52 VAL H    2.900 . 2.900 2.210 2.191 2.242     .  0 0 "[    .    1    .    2]" 1 
       485 1  51 PHE HA   1  52 VAL QG   5.000 . 7.400 3.602 3.373 3.788     .  0 0 "[    .    1    .    2]" 1 
       486 1  51 PHE QB   1  52 VAL H    5.000 . 6.000 3.722 3.616 3.756     .  0 0 "[    .    1    .    2]" 1 
       487 1  51 PHE QD   1  52 VAL H    3.500 . 5.500 3.471 3.214 3.560     .  0 0 "[    .    1    .    2]" 1 
       488 1  51 PHE QD   1  87 GLU HA   5.000 . 7.000 3.817 3.509 4.461     .  0 0 "[    .    1    .    2]" 1 
       489 1  51 PHE QD   1  87 GLU QB   5.000 . 8.000 3.892 2.617 4.853     .  0 0 "[    .    1    .    2]" 1 
       490 1  51 PHE QD   1  87 GLU QG   5.000 . 8.000 3.004 2.380 4.789     .  0 0 "[    .    1    .    2]" 1 
       491 1  51 PHE QE   1  53 HIS HD2  5.000 . 7.000 2.780 2.293 4.018     .  0 0 "[    .    1    .    2]" 1 
       492 1  51 PHE HZ   1  53 HIS HD2  5.000 . 5.000 3.418 2.639 5.047 0.047 13 0 "[    .    1    .    2]" 1 
       493 1  52 VAL H    1  52 VAL HB   3.500 . 3.500 3.124 2.691 3.849 0.349  6 0 "[    .    1    .    2]" 1 
       494 1  52 VAL H    1  52 VAL QG   2.900 . 4.600 2.179 1.996 2.731     .  0 0 "[    .    1    .    2]" 1 
       495 1  52 VAL H    1  53 HIS H    5.000 . 5.000 4.453 4.392 4.479     .  0 0 "[    .    1    .    2]" 1 
       496 1  52 VAL H    1  88 ALA MB   5.000 . 6.500 4.481 4.342 4.781     .  0 0 "[    .    1    .    2]" 1 
       497 1  52 VAL HA   1  53 HIS H    2.900 . 2.900 2.268 2.142 2.372     .  0 0 "[    .    1    .    2]" 1 
       498 1  52 VAL HA   1  88 ALA H    3.500 . 3.500 2.888 2.792 2.988     .  0 0 "[    .    1    .    2]" 1 
       499 1  52 VAL HA   1  88 ALA MB   3.500 . 5.000 2.498 2.317 3.310     .  0 0 "[    .    1    .    2]" 1 
       500 1  52 VAL HB   1  53 HIS H    3.500 . 3.500 3.794 2.329 3.949 0.449  5 0 "[    .    1    .    2]" 1 
       501 1  52 VAL QG   1  53 HIS H    2.900 . 5.300 1.963 1.783 3.016 0.017  9 0 "[    .    1    .    2]" 1 
       502 1  52 VAL QG   1  56 ALA H    3.500 . 5.900 3.882 3.760 4.760     .  0 0 "[    .    1    .    2]" 1 
       503 1  52 VAL QG   1  56 ALA MB   2.700 . 6.600 2.136 1.987 2.981     .  0 0 "[    .    1    .    2]" 1 
       504 1  52 VAL QG   1  69 VAL QG   3.500 . 8.300 3.057 2.768 3.586     .  0 0 "[    .    1    .    2]" 1 
       505 1  52 VAL QG   1  88 ALA MB   2.700 . 6.600 2.389 1.805 2.644     .  0 0 "[    .    1    .    2]" 1 
       506 1  53 HIS H    1  53 HIS QB   2.900 . 3.500 2.643 2.519 2.745     .  0 0 "[    .    1    .    2]" 1 
       507 1  53 HIS H    1  54 GLN H    5.000 . 5.000 4.437 4.382 4.506     .  0 0 "[    .    1    .    2]" 1 
       508 1  53 HIS H    1  56 ALA MB   2.900 . 4.400 2.130 1.989 2.276     .  0 0 "[    .    1    .    2]" 1 
       509 1  53 HIS H    1  88 ALA H    5.000 . 5.000 4.679 4.362 5.000     .  0 0 "[    .    1    .    2]" 1 
       510 1  53 HIS H    1  88 ALA MB   5.000 . 6.500 3.851 3.646 4.482     .  0 0 "[    .    1    .    2]" 1 
       511 1  53 HIS HA   1  54 GLN H    2.900 . 2.900 2.415 2.366 2.537     .  0 0 "[    .    1    .    2]" 1 
       512 1  53 HIS QB   1  54 GLN H    3.500 . 4.500 3.014 2.216 3.326     .  0 0 "[    .    1    .    2]" 1 
       513 1  53 HIS QB   1  55 THR H    5.000 . 6.000 2.428 2.112 2.798     .  0 0 "[    .    1    .    2]" 1 
       514 1  53 HIS QB   1  56 ALA MB   5.000 . 7.500 2.842 2.310 3.212     .  0 0 "[    .    1    .    2]" 1 
       515 1  54 GLN H    1  54 GLN HA   2.900 . 2.900 2.863 2.847 2.891     .  0 0 "[    .    1    .    2]" 1 
       516 1  54 GLN H    1  54 GLN QB   2.900 . 3.500 2.516 2.415 2.585     .  0 0 "[    .    1    .    2]" 1 
       517 1  54 GLN H    1  54 GLN QG   2.900 . 3.900 2.280 2.127 2.781     .  0 0 "[    .    1    .    2]" 1 
       518 1  54 GLN H    1  55 THR H    2.900 . 2.900 2.597 2.441 2.667     .  0 0 "[    .    1    .    2]" 1 
       519 1  54 GLN HA   1  55 THR H    5.000 . 5.000 3.499 3.425 3.576     .  0 0 "[    .    1    .    2]" 1 
       520 1  54 GLN HA   1  57 ILE H    3.500 . 3.500 3.642 3.568 3.732 0.232  8 0 "[    .    1    .    2]" 1 
       521 1  54 GLN HA   1  57 ILE MD   2.700 . 4.200 2.442 2.087 3.412     .  0 0 "[    .    1    .    2]" 1 
       522 1  54 GLN QB   1  55 THR H    3.500 . 4.500 3.440 2.669 3.806     .  0 0 "[    .    1    .    2]" 1 
       523 1  54 GLN QG   1  55 THR H    5.000 . 6.000 3.247 2.584 4.440     .  0 0 "[    .    1    .    2]" 1 
       524 1  54 GLN QG   1  57 ILE MD   5.000 . 7.500 4.215 3.228 5.584     .  0 0 "[    .    1    .    2]" 1 
       525 1  55 THR H    1  55 THR HA   2.900 . 2.900 2.932 2.888 2.949 0.049 16 0 "[    .    1    .    2]" 1 
       526 1  55 THR H    1  55 THR HB   3.500 . 3.500 3.353 2.528 3.685 0.185 16 0 "[    .    1    .    2]" 1 
       527 1  55 THR H    1  55 THR MG   2.900 . 4.400 2.333 2.132 2.432     .  0 0 "[    .    1    .    2]" 1 
       528 1  55 THR H    1  57 ILE H    5.000 . 5.000 4.087 3.983 4.241     .  0 0 "[    .    1    .    2]" 1 
       529 1  55 THR HA   1  56 ALA H    2.900 . 2.900 3.268 3.252 3.330 0.430  6 0 "[    .    1    .    2]" 1 
       530 1  55 THR HA   1  57 ILE H    3.500 . 3.500 3.404 3.345 3.445     .  0 0 "[    .    1    .    2]" 1 
       531 1  55 THR HB   1  56 ALA H    5.000 . 5.000 4.327 4.306 4.405     .  0 0 "[    .    1    .    2]" 1 
       532 1  55 THR MG   1  56 ALA H    3.500 . 5.000 3.818 3.026 4.182     .  0 0 "[    .    1    .    2]" 1 
       533 1  56 ALA H    1  56 ALA HA   2.900 . 2.900 2.964 2.944 2.974 0.074 14 0 "[    .    1    .    2]" 1 
       534 1  56 ALA H    1  56 ALA MB   2.900 . 4.000 2.374 2.342 2.400     .  0 0 "[    .    1    .    2]" 1 
       535 1  56 ALA H    1  57 ILE H    2.900 . 2.900 2.168 2.103 2.295     .  0 0 "[    .    1    .    2]" 1 
       536 1  56 ALA H    1  57 ILE HB   5.000 . 5.000 4.480 4.352 4.876     .  0 0 "[    .    1    .    2]" 1 
       537 1  56 ALA H    1  57 ILE MD   3.500 . 5.000 4.255 4.109 4.305     .  0 0 "[    .    1    .    2]" 1 
       538 1  56 ALA H    1  57 ILE HG12 5.000 . 5.000 4.595 3.202 5.059 0.059  5 0 "[    .    1    .    2]" 1 
       539 1  56 ALA HA   1  57 ILE H    3.500 . 3.500 3.365 3.324 3.420     .  0 0 "[    .    1    .    2]" 1 
       540 1  56 ALA HA   1  90 ASN H    3.500 . 3.500 3.266 2.860 3.461     .  0 0 "[    .    1    .    2]" 1 
       541 1  56 ALA HA   1  91 VAL H    5.000 . 5.000 4.170 3.966 4.306     .  0 0 "[    .    1    .    2]" 1 
       542 1  56 ALA HA   1  91 VAL QG   5.000 . 7.400 4.037 3.863 4.180     .  0 0 "[    .    1    .    2]" 1 
       543 1  56 ALA MB   1  57 ILE H    2.900 . 4.400 3.220 3.094 3.308     .  0 0 "[    .    1    .    2]" 1 
       544 1  56 ALA MB   1  88 ALA MB   3.500 . 6.500 3.075 2.842 3.227     .  0 0 "[    .    1    .    2]" 1 
       545 1  56 ALA MB   1  89 ALA H    5.000 . 6.500 4.028 3.881 4.175     .  0 0 "[    .    1    .    2]" 1 
       546 1  56 ALA MB   1  89 ALA HA   2.700 . 4.200 2.120 1.952 2.509     .  0 0 "[    .    1    .    2]" 1 
       547 1  56 ALA MB   1  89 ALA MB   3.500 . 6.500 3.576 3.428 3.843     .  0 0 "[    .    1    .    2]" 1 
       548 1  56 ALA MB   1  90 ASN H    2.900 . 4.400 3.386 3.214 3.561     .  0 0 "[    .    1    .    2]" 1 
       549 1  56 ALA MB   1  91 VAL H    3.500 . 5.000 3.421 3.311 3.561     .  0 0 "[    .    1    .    2]" 1 
       550 1  56 ALA MB   1  91 VAL QG   2.700 . 6.600 2.230 2.074 2.397     .  0 0 "[    .    1    .    2]" 1 
       551 1  57 ILE H    1  57 ILE HB   2.900 . 2.900 2.512 2.467 2.695     .  0 0 "[    .    1    .    2]" 1 
       552 1  57 ILE H    1  57 ILE MD   2.900 . 4.400 3.390 3.107 3.473     .  0 0 "[    .    1    .    2]" 1 
       553 1  57 ILE H    1  57 ILE HG12 3.500 . 3.500 3.303 2.003 3.630 0.130 16 0 "[    .    1    .    2]" 1 
       554 1  57 ILE H    1  57 ILE MG   2.900 . 4.400 3.776 3.763 3.811     .  0 0 "[    .    1    .    2]" 1 
       555 1  57 ILE H    1  58 LYS H    5.000 . 5.000 4.450 4.293 4.522     .  0 0 "[    .    1    .    2]" 1 
       556 1  57 ILE HA   1  58 LYS H    2.900 . 2.900 2.172 2.156 2.205     .  0 0 "[    .    1    .    2]" 1 
       557 1  57 ILE HA   1  91 VAL H    2.900 . 2.900 3.009 2.824 3.183 0.283 20 0 "[    .    1    .    2]" 1 
       558 1  57 ILE HA   1  91 VAL QG   3.500 . 5.900 3.247 3.064 3.447     .  0 0 "[    .    1    .    2]" 1 
       559 1  57 ILE MD   1  58 LYS H    5.000 . 6.500 5.075 3.795 5.466     .  0 0 "[    .    1    .    2]" 1 
       560 1  57 ILE MD   1  67 ARG QB   5.000 . 7.500 3.528 2.959 4.603     .  0 0 "[    .    1    .    2]" 1 
       561 1  57 ILE MD   1  67 ARG QD   5.000 . 7.500 4.223 3.112 5.532     .  0 0 "[    .    1    .    2]" 1 
       562 1  57 ILE MD   1  68 SER H    3.500 . 5.000 3.861 3.578 4.230     .  0 0 "[    .    1    .    2]" 1 
       563 1  57 ILE MD   1  68 SER HA   3.500 . 5.000 3.223 2.792 3.791     .  0 0 "[    .    1    .    2]" 1 
       564 1  57 ILE MD   1  69 VAL QG   2.700 . 6.600 2.474 1.958 3.653     .  0 0 "[    .    1    .    2]" 1 
       565 1  57 ILE MD   1  91 VAL HB   5.000 . 6.500 4.209 2.437 4.756     .  0 0 "[    .    1    .    2]" 1 
       566 1  57 ILE MD   1  91 VAL QG   5.000 . 8.900 3.873 2.740 4.264     .  0 0 "[    .    1    .    2]" 1 
       567 1  57 ILE MD   1  99 VAL QG   3.500 . 7.400 3.173 2.629 3.679     .  0 0 "[    .    1    .    2]" 1 
       568 1  57 ILE QG   1  69 VAL QG   5.000 . 8.400 3.049 2.328 4.927     .  0 0 "[    .    1    .    2]" 1 
       569 1  57 ILE QG   1  91 VAL QG   5.000 . 8.400 3.323 2.884 4.427     .  0 0 "[    .    1    .    2]" 1 
       570 1  57 ILE MG   1  58 LYS H    2.900 . 4.400 2.873 2.738 3.142     .  0 0 "[    .    1    .    2]" 1 
       571 1  57 ILE MG   1  58 LYS QB   5.000 . 7.500 4.250 4.162 4.333     .  0 0 "[    .    1    .    2]" 1 
       572 1  57 ILE MG   1  59 LYS H    5.000 . 6.500 2.796 2.689 2.952     .  0 0 "[    .    1    .    2]" 1 
       573 1  57 ILE MG   1  60 ASN HA   2.700 . 4.200 3.396 3.147 3.709     .  0 0 "[    .    1    .    2]" 1 
       574 1  57 ILE MG   1  67 ARG QD   5.000 . 7.500 4.711 3.627 5.342     .  0 0 "[    .    1    .    2]" 1 
       575 1  57 ILE MG   1  68 SER H    5.000 . 6.500 5.066 4.476 5.272     .  0 0 "[    .    1    .    2]" 1 
       576 1  57 ILE MG   1  69 VAL QG   3.500 . 7.400 3.515 2.871 4.530     .  0 0 "[    .    1    .    2]" 1 
       577 1  57 ILE MG   1  91 VAL H    5.000 . 6.500 4.648 4.490 4.731     .  0 0 "[    .    1    .    2]" 1 
       578 1  57 ILE MG   1  91 VAL HB   5.000 . 6.500 3.478 3.170 3.772     .  0 0 "[    .    1    .    2]" 1 
       579 1  57 ILE MG   1  99 VAL QG   2.700 . 6.600 2.458 2.184 3.011     .  0 0 "[    .    1    .    2]" 1 
       580 1  58 LYS H    1  58 LYS QB   2.900 . 3.500 2.366 2.312 2.411     .  0 0 "[    .    1    .    2]" 1 
       581 1  58 LYS H    1  58 LYS QD   5.000 . 6.000 4.578 4.366 4.956     .  0 0 "[    .    1    .    2]" 1 
       582 1  58 LYS H    1  59 LYS H    3.500 . 3.500 2.350 2.217 2.616     .  0 0 "[    .    1    .    2]" 1 
       583 1  58 LYS H    1  90 ASN HA   5.000 . 5.000 3.593 3.329 3.901     .  0 0 "[    .    1    .    2]" 1 
       584 1  58 LYS H    1  91 VAL H    2.900 . 2.900 2.910 2.738 2.971 0.071  2 0 "[    .    1    .    2]" 1 
       585 1  58 LYS H    1  91 VAL HB   3.500 . 3.500 3.455 3.232 3.572 0.072 12 0 "[    .    1    .    2]" 1 
       586 1  58 LYS H    1  91 VAL QG   3.500 . 5.900 3.960 3.814 4.052     .  0 0 "[    .    1    .    2]" 1 
       587 1  58 LYS H    1  92 THR MG   3.500 . 5.000 3.232 3.053 3.346     .  0 0 "[    .    1    .    2]" 1 
       588 1  58 LYS HA   1  59 LYS H    5.000 . 5.000 3.614 3.599 3.624     .  0 0 "[    .    1    .    2]" 1 
       589 1  58 LYS HA   1  91 VAL H    5.000 . 5.000 5.018 4.843 5.164 0.164 10 0 "[    .    1    .    2]" 1 
       590 1  58 LYS QB   1  90 ASN H    3.500 . 4.500 3.819 3.620 4.014     .  0 0 "[    .    1    .    2]" 1 
       591 1  58 LYS QB   1  91 VAL H    3.500 . 4.500 3.510 3.339 3.630     .  0 0 "[    .    1    .    2]" 1 
       592 1  58 LYS QG   1  92 THR MG   5.000 . 7.500 3.430 2.944 4.013     .  0 0 "[    .    1    .    2]" 1 
       593 1  59 LYS H    1  92 THR MG   5.000 . 6.500 2.471 2.289 2.600     .  0 0 "[    .    1    .    2]" 1 
       594 1  59 LYS QB   1  92 THR MG   2.700 . 5.200 2.546 2.015 2.852     .  0 0 "[    .    1    .    2]" 1 
       595 1  59 LYS QB   1  99 VAL H    3.500 . 4.500 3.412 2.992 4.091     .  0 0 "[    .    1    .    2]" 1 
       596 1  59 LYS QD   1  92 THR MG   2.700 . 5.200 2.775 1.971 3.796     .  0 0 "[    .    1    .    2]" 1 
       597 1  59 LYS QE   1  92 THR MG   2.700 . 5.200 2.915 2.478 3.646     .  0 0 "[    .    1    .    2]" 1 
       598 1  59 LYS QG   1  92 THR MG   2.700 . 5.200 2.375 1.943 3.354     .  0 0 "[    .    1    .    2]" 1 
       599 1  60 ASN HA   1  61 ASN H    5.000 . 5.000 2.421 2.320 2.645     .  0 0 "[    .    1    .    2]" 1 
       600 1  60 ASN HA   1  99 VAL H    3.500 . 3.500 3.407 2.414 3.645 0.145 16 0 "[    .    1    .    2]" 1 
       601 1  60 ASN HA   1  99 VAL QG   2.700 . 5.100 2.536 1.983 2.876     .  0 0 "[    .    1    .    2]" 1 
       602 1  60 ASN HD21 1  68 SER H    5.000 . 5.000 4.933 4.052 5.050 0.050  5 0 "[    .    1    .    2]" 1 
       603 1  61 ASN H    1  99 VAL QG   5.000 . 7.400 3.307 2.738 3.742     .  0 0 "[    .    1    .    2]" 1 
       604 1  61 ASN QB   1  64 LYS H    5.000 . 6.000 2.630 2.488 2.966     .  0 0 "[    .    1    .    2]" 1 
       605 1  61 ASN QB   1  99 VAL QG   5.000 . 8.400 3.990 2.956 4.996     .  0 0 "[    .    1    .    2]" 1 
       606 1  62 PRO HA   1  63 ARG H    3.500 . 3.500 3.552 3.490 3.602 0.102 12 0 "[    .    1    .    2]" 1 
       607 1  62 PRO HA   1  64 LYS H    5.000 . 5.000 4.333 3.936 4.545     .  0 0 "[    .    1    .    2]" 1 
       608 1  62 PRO QB   1  63 ARG H    3.500 . 4.500 3.251 2.671 3.640     .  0 0 "[    .    1    .    2]" 1 
       609 1  62 PRO QG   1  63 ARG H    3.500 . 4.500 2.943 2.494 3.960     .  0 0 "[    .    1    .    2]" 1 
       610 1  63 ARG H    1  63 ARG HA   2.900 . 2.900 2.882 2.855 2.968 0.068  6 0 "[    .    1    .    2]" 1 
       611 1  63 ARG H    1  63 ARG QB   2.900 . 3.500 2.457 2.434 2.610     .  0 0 "[    .    1    .    2]" 1 
       612 1  63 ARG H    1  63 ARG QD   3.500 . 4.500 3.881 3.690 4.202     .  0 0 "[    .    1    .    2]" 1 
       613 1  63 ARG H    1  63 ARG QG   2.900 . 3.900 2.411 2.158 2.600     .  0 0 "[    .    1    .    2]" 1 
       614 1  63 ARG H    1  64 LYS H    2.900 . 2.900 2.525 2.026 2.674     .  0 0 "[    .    1    .    2]" 1 
       615 1  63 ARG H    1  64 LYS QG   5.000 . 6.000 4.937 4.268 5.769     .  0 0 "[    .    1    .    2]" 1 
       616 1  63 ARG HA   1  64 LYS H    3.500 . 3.500 3.568 3.426 3.601 0.101 16 0 "[    .    1    .    2]" 1 
       617 1  63 ARG QB   1  64 LYS H    5.000 . 6.000 2.665 2.491 3.600     .  0 0 "[    .    1    .    2]" 1 
       618 1  63 ARG QG   1  64 LYS H    5.000 . 6.000 4.053 2.372 4.204     .  0 0 "[    .    1    .    2]" 1 
       619 1  64 LYS H    1  64 LYS QB   3.500 . 4.100 2.839 2.561 3.381     .  0 0 "[    .    1    .    2]" 1 
       620 1  64 LYS H    1  64 LYS QD   5.000 . 6.000 4.720 4.220 5.382     .  0 0 "[    .    1    .    2]" 1 
       621 1  64 LYS H    1  64 LYS QG   3.500 . 4.500 3.204 2.442 4.068     .  0 0 "[    .    1    .    2]" 1 
       622 1  64 LYS QB   1  66 LEU H    5.000 . 6.000 4.715 4.435 5.231     .  0 0 "[    .    1    .    2]" 1 
       623 1  64 LYS QD   1 105 ALA MB   5.000 . 7.500 5.005 3.852 5.322     .  0 0 "[    .    1    .    2]" 1 
       624 1  64 LYS QE   1 105 ALA MB   5.000 . 7.500 5.000 3.725 5.568     .  0 0 "[    .    1    .    2]" 1 
       625 1  65 TYR HA   1  66 LEU H    3.500 . 3.500 2.132 2.083 2.163     .  0 0 "[    .    1    .    2]" 1 
       626 1  65 TYR QB   1  66 LEU H    2.900 . 3.900 3.397 3.250 3.809     .  0 0 "[    .    1    .    2]" 1 
       627 1  65 TYR QD   1  66 LEU H    5.000 . 7.000 4.537 3.683 4.707     .  0 0 "[    .    1    .    2]" 1 
       628 1  65 TYR QD   1  66 LEU QD   3.500 . 7.900 4.353 4.083 5.053     .  0 0 "[    .    1    .    2]" 1 
       629 1  65 TYR QD   1 106 ALA MB   5.000 . 7.000 5.268 4.457 5.742     .  0 0 "[    .    1    .    2]" 1 
       630 1  65 TYR QE   1  66 LEU QD   5.000 . 9.400 5.213 4.864 6.280     .  0 0 "[    .    1    .    2]" 1 
       631 1  66 LEU H    1  66 LEU QB   2.900 . 3.500 2.718 2.659 3.258     .  0 0 "[    .    1    .    2]" 1 
       632 1  66 LEU H    1  66 LEU HG   2.900 . 2.900 2.953 2.354 3.065 0.165  4 0 "[    .    1    .    2]" 1 
       633 1  66 LEU HA   1  67 ARG H    2.900 . 2.900 2.245 2.168 2.463     .  0 0 "[    .    1    .    2]" 1 
       634 1  66 LEU QB   1  67 ARG H    5.000 . 6.000 2.757 2.380 2.957     .  0 0 "[    .    1    .    2]" 1 
       635 1  66 LEU QD   1  67 ARG H    5.000 . 7.400 3.415 3.256 3.680     .  0 0 "[    .    1    .    2]" 1 
       636 1  66 LEU QD   1 105 ALA HA   3.500 . 5.900 3.735 3.539 3.918     .  0 0 "[    .    1    .    2]" 1 
       637 1  66 LEU QD   1 105 ALA MB   3.500 . 7.400 1.794 1.651 2.022 0.149 13 0 "[    .    1    .    2]" 1 
       638 1  66 LEU QD   1 106 ALA H    2.900 . 5.300 3.592 2.978 3.938     .  0 0 "[    .    1    .    2]" 1 
       639 1  67 ARG H    1  67 ARG QB   3.500 . 4.100 2.503 2.286 2.599     .  0 0 "[    .    1    .    2]" 1 
       640 1  67 ARG H    1  67 ARG QD   5.000 . 6.000 3.739 2.909 4.547     .  0 0 "[    .    1    .    2]" 1 
       641 1  67 ARG H    1  67 ARG QG   3.500 . 4.500 2.936 2.581 4.010     .  0 0 "[    .    1    .    2]" 1 
       642 1  67 ARG H    1  68 SER H    5.000 . 5.000 2.363 2.235 2.521     .  0 0 "[    .    1    .    2]" 1 
       643 1  67 ARG HA   1  68 SER H    2.900 . 2.900 3.099 3.076 3.123 0.223 15 0 "[    .    1    .    2]" 1 
       644 1  67 ARG QB   1  68 SER H    5.000 . 6.000 3.656 3.628 3.673     .  0 0 "[    .    1    .    2]" 1 
       645 1  67 ARG QG   1  68 SER H    5.000 . 6.000 4.580 4.401 4.934     .  0 0 "[    .    1    .    2]" 1 
       646 1  68 SER H    1  99 VAL QG   5.000 . 7.400 4.724 3.823 5.100     .  0 0 "[    .    1    .    2]" 1 
       647 1  68 SER QB   1 102 SER H    5.000 . 6.000 3.287 2.377 4.688     .  0 0 "[    .    1    .    2]" 1 
       648 1  68 SER QB   1 105 ALA MB   3.500 . 6.000 2.742 1.950 4.374     .  0 0 "[    .    1    .    2]" 1 
       649 1  69 VAL HA   1  70 GLY H    2.900 . 2.900 2.455 2.287 2.550     .  0 0 "[    .    1    .    2]" 1 
       650 1  69 VAL HA   1  99 VAL QG   3.500 . 5.900 3.002 2.751 3.194     .  0 0 "[    .    1    .    2]" 1 
       651 1  69 VAL HA   1 101 GLY H    3.500 . 3.500 3.600 3.546 3.714 0.214  7 0 "[    .    1    .    2]" 1 
       652 1  69 VAL HA   1 102 SER H    5.000 . 5.000 4.469 3.719 5.119 0.119 12 0 "[    .    1    .    2]" 1 
       653 1  69 VAL HB   1  70 GLY H    3.500 . 3.500 2.793 2.199 3.856 0.356 20 0 "[    .    1    .    2]" 1 
       654 1  69 VAL QG   1  70 GLY H    5.000 . 7.400 2.675 1.722 3.146 0.078  4 0 "[    .    1    .    2]" 1 
       655 1  69 VAL QG   1  99 VAL HB   3.500 . 5.900 3.212 2.217 3.838     .  0 0 "[    .    1    .    2]" 1 
       656 1  69 VAL QG   1  99 VAL QG   2.700 . 7.500 2.290 1.695 2.721 0.105  2 0 "[    .    1    .    2]" 1 
       657 1  69 VAL QG   1 101 GLY H    5.000 . 7.400 4.329 2.891 4.886     .  0 0 "[    .    1    .    2]" 1 
       658 1  69 VAL QG   1 101 GLY QA   5.000 . 8.400 3.837 3.212 4.505     .  0 0 "[    .    1    .    2]" 1 
       659 1  70 GLY H    1  71 ASP H    5.000 . 5.000 4.558 4.443 4.631     .  0 0 "[    .    1    .    2]" 1 
       660 1  70 GLY H    1  73 GLU QG   5.000 . 6.000 3.962 3.224 4.421     .  0 0 "[    .    1    .    2]" 1 
       661 1  70 GLY H    1 101 GLY H    5.000 . 5.000 3.116 2.620 3.823     .  0 0 "[    .    1    .    2]" 1 
       662 1  70 GLY QA   1  71 ASP H    2.900 . 3.900 2.130 2.100 2.159     .  0 0 "[    .    1    .    2]" 1 
       663 1  70 GLY QA   1 102 SER H    5.000 . 6.000 4.040 3.690 4.602     .  0 0 "[    .    1    .    2]" 1 
       664 1  71 ASP H    1  71 ASP HA   2.900 . 2.900 2.911 2.889 2.918 0.018 11 0 "[    .    1    .    2]" 1 
       665 1  71 ASP H    1  71 ASP QB   2.900 . 3.500 2.491 2.308 2.801     .  0 0 "[    .    1    .    2]" 1 
       666 1  71 ASP H    1  72 GLY H    5.000 . 5.000 4.582 4.456 4.646     .  0 0 "[    .    1    .    2]" 1 
       667 1  71 ASP H    1 102 SER HA   3.500 . 3.500 3.523 3.189 3.624 0.124 16 0 "[    .    1    .    2]" 1 
       668 1  71 ASP HA   1  72 GLY H    2.900 . 2.900 2.219 2.175 2.316     .  0 0 "[    .    1    .    2]" 1 
       669 1  71 ASP HA   1  73 GLU H    3.500 . 3.500 3.174 2.976 3.356     .  0 0 "[    .    1    .    2]" 1 
       670 1  71 ASP QB   1  72 GLY H    3.500 . 4.500 3.228 2.634 3.911     .  0 0 "[    .    1    .    2]" 1 
       671 1  72 GLY H    1  73 GLU H    2.900 . 2.900 2.440 2.288 2.515     .  0 0 "[    .    1    .    2]" 1 
       672 1  72 GLY QA   1  73 GLU H    3.500 . 4.500 2.972 2.956 2.982     .  0 0 "[    .    1    .    2]" 1 
       673 1  73 GLU H    1  73 GLU HA   2.900 . 2.900 2.950 2.914 2.959 0.059 13 0 "[    .    1    .    2]" 1 
       674 1  73 GLU H    1  73 GLU QB   2.900 . 3.500 2.429 2.275 2.503     .  0 0 "[    .    1    .    2]" 1 
       675 1  73 GLU H    1  73 GLU QG   2.900 . 3.900 2.893 2.659 4.019 0.119 18 0 "[    .    1    .    2]" 1 
       676 1  73 GLU H    1  74 THR H    5.000 . 5.000 4.585 4.565 4.620     .  0 0 "[    .    1    .    2]" 1 
       677 1  73 GLU H    1  75 VAL QG   5.000 . 7.400 4.486 4.336 4.655     .  0 0 "[    .    1    .    2]" 1 
       678 1  73 GLU HA   1  74 THR H    2.900 . 2.900 2.285 2.192 2.376     .  0 0 "[    .    1    .    2]" 1 
       679 1  73 GLU QB   1  74 THR H    2.900 . 3.900 2.634 2.283 3.638     .  0 0 "[    .    1    .    2]" 1 
       680 1  73 GLU QB   1  75 VAL QG   5.000 . 8.400 2.738 2.514 2.986     .  0 0 "[    .    1    .    2]" 1 
       681 1  73 GLU QG   1  74 THR H    3.500 . 4.500 3.785 2.422 4.191     .  0 0 "[    .    1    .    2]" 1 
       682 1  73 GLU QG   1  75 VAL QG   3.500 . 6.900 4.146 2.493 4.431     .  0 0 "[    .    1    .    2]" 1 
       683 1  74 THR H    1  74 THR HA   2.900 . 2.900 2.968 2.949 2.981 0.081 20 0 "[    .    1    .    2]" 1 
       684 1  74 THR H    1  74 THR HB   2.900 . 2.900 2.535 2.515 2.561     .  0 0 "[    .    1    .    2]" 1 
       685 1  74 THR H    1  74 THR MG   2.900 . 4.400 3.812 3.802 3.824     .  0 0 "[    .    1    .    2]" 1 
       686 1  74 THR H    1  75 VAL QG   5.000 . 7.400 3.860 3.764 4.029     .  0 0 "[    .    1    .    2]" 1 
       687 1  74 THR HA   1  75 VAL H    2.900 . 2.900 2.185 2.168 2.199     .  0 0 "[    .    1    .    2]" 1 
       688 1  74 THR HA   1  75 VAL QG   5.000 . 7.400 3.233 3.208 3.257     .  0 0 "[    .    1    .    2]" 1 
       689 1  74 THR HB   1  75 VAL H    5.000 . 5.000 4.174 4.152 4.193     .  0 0 "[    .    1    .    2]" 1 
       690 1  74 THR MG   1  75 VAL H    2.900 . 4.400 2.623 2.569 2.664     .  0 0 "[    .    1    .    2]" 1 
       691 1  74 THR MG   1  94 PRO QB   5.000 . 7.500 3.879 3.588 4.558     .  0 0 "[    .    1    .    2]" 1 
       692 1  74 THR MG   1  94 PRO QD   5.000 . 7.500 4.050 3.650 4.422     .  0 0 "[    .    1    .    2]" 1 
       693 1  74 THR MG   1  94 PRO QG   3.500 . 6.000 3.875 3.064 4.058     .  0 0 "[    .    1    .    2]" 1 
       694 1  75 VAL H    1  75 VAL QG   2.900 . 4.600 2.038 2.000 2.062     .  0 0 "[    .    1    .    2]" 1 
       695 1  75 VAL HA   1  76 GLU H    2.900 . 2.900 2.389 2.347 2.434     .  0 0 "[    .    1    .    2]" 1 
       696 1  75 VAL HB   1  76 GLU H    2.900 . 2.900 2.396 2.335 2.427     .  0 0 "[    .    1    .    2]" 1 
       697 1  75 VAL HB   1  92 THR H    5.000 . 5.000 3.581 3.435 3.749     .  0 0 "[    .    1    .    2]" 1 
       698 1  75 VAL QG   1  76 GLU H    2.900 . 5.300 3.160 3.128 3.172     .  0 0 "[    .    1    .    2]" 1 
       699 1  75 VAL QG   1  77 PHE QD   2.700 . 7.100 2.001 1.800 2.205     .  4 0 "[    .    1    .    2]" 1 
       700 1  75 VAL QG   1  77 PHE QE   3.500 . 7.900 2.769 2.511 3.147     .  0 0 "[    .    1    .    2]" 1 
       701 1  76 GLU H    1  76 GLU QB   3.500 . 4.100 2.535 2.417 2.809     .  0 0 "[    .    1    .    2]" 1 
       702 1  76 GLU H    1  77 PHE H    5.000 . 5.000 4.478 4.437 4.524     .  0 0 "[    .    1    .    2]" 1 
       703 1  76 GLU H    1  77 PHE QD   5.000 . 7.000 4.184 4.083 4.349     .  0 0 "[    .    1    .    2]" 1 
       704 1  76 GLU H    1  91 VAL HA   5.000 . 5.000 4.753 4.637 4.925     .  0 0 "[    .    1    .    2]" 1 
       705 1  76 GLU H    1  91 VAL QG   3.500 . 5.900 3.805 3.657 4.004     .  0 0 "[    .    1    .    2]" 1 
       706 1  76 GLU H    1  92 THR H    3.500 . 3.500 3.254 3.152 3.429     .  0 0 "[    .    1    .    2]" 1 
       707 1  76 GLU H    1  93 GLY QA   5.000 . 6.000 3.003 2.815 3.186     .  0 0 "[    .    1    .    2]" 1 
       708 1  76 GLU H    1  94 PRO HA   5.000 . 5.000 4.233 3.868 4.489     .  0 0 "[    .    1    .    2]" 1 
       709 1  76 GLU HA   1  77 PHE H    2.900 . 2.900 2.244 2.214 2.291     .  0 0 "[    .    1    .    2]" 1 
       710 1  76 GLU QB   1  77 PHE H    3.500 . 4.500 3.549 2.970 3.813     .  0 0 "[    .    1    .    2]" 1 
       711 1  76 GLU QB   1  95 GLY H    3.500 . 4.500 3.960 3.814 4.044     .  0 0 "[    .    1    .    2]" 1 
       712 1  76 GLU QG   1  77 PHE H    3.500 . 4.500 3.050 2.725 3.694     .  0 0 "[    .    1    .    2]" 1 
       713 1  76 GLU QG   1  95 GLY H    5.000 . 6.000 5.014 4.114 5.405     .  0 0 "[    .    1    .    2]" 1 
       714 1  77 PHE H    1  77 PHE HA   2.900 . 2.900 2.927 2.915 2.939 0.039  8 0 "[    .    1    .    2]" 1 
       715 1  77 PHE H    1  77 PHE QB   3.500 . 4.100 3.315 3.276 3.352     .  0 0 "[    .    1    .    2]" 1 
       716 1  77 PHE H    1  77 PHE QD   2.900 . 4.900 3.118 2.995 3.278     .  0 0 "[    .    1    .    2]" 1 
       717 1  77 PHE H    1  77 PHE QE   5.000 . 7.000 4.427 4.363 4.501     .  0 0 "[    .    1    .    2]" 1 
       718 1  77 PHE HA   1  78 ASP H    2.900 . 2.900 2.353 2.341 2.382     .  0 0 "[    .    1    .    2]" 1 
       719 1  77 PHE HA   1  91 VAL QG   5.000 . 7.400 3.607 3.555 3.644     .  0 0 "[    .    1    .    2]" 1 
       720 1  77 PHE HA   1  92 THR H    3.500 . 3.500 3.487 3.418 3.561 0.061  7 0 "[    .    1    .    2]" 1 
       721 1  77 PHE QB   1  78 ASP H    2.900 . 3.900 2.390 2.359 2.457     .  0 0 "[    .    1    .    2]" 1 
       722 1  77 PHE QB   1  89 ALA H    3.500 . 4.500 2.842 2.727 2.902     .  0 0 "[    .    1    .    2]" 1 
       723 1  77 PHE QB   1  91 VAL QG   2.700 . 6.100 1.893 1.834 1.944     .  0 0 "[    .    1    .    2]" 1 
       724 1  77 PHE QB   1  92 THR H    3.500 . 4.500 3.341 3.264 3.467     .  0 0 "[    .    1    .    2]" 1 
       725 1  77 PHE QD   1  78 ASP H    3.500 . 5.500 3.467 3.427 3.530     .  0 0 "[    .    1    .    2]" 1 
       726 1  77 PHE QD   1  79 VAL QG   3.500 . 7.900 2.671 2.575 2.883     .  0 0 "[    .    1    .    2]" 1 
       727 1  77 PHE QD   1  88 ALA MB   3.500 . 7.000 2.526 2.223 2.583     .  0 0 "[    .    1    .    2]" 1 
       728 1  77 PHE QD   1  89 ALA H    3.500 . 5.500 3.046 2.922 3.319     .  0 0 "[    .    1    .    2]" 1 
       729 1  77 PHE QD   1  91 VAL QG   5.000 . 9.400 2.861 2.665 3.032     .  0 0 "[    .    1    .    2]" 1 
       730 1  77 PHE QE   1  78 ASP H    5.000 . 7.000 5.652 5.609 5.736     .  0 0 "[    .    1    .    2]" 1 
       731 1  77 PHE QE   1  79 VAL QG   2.700 . 7.100 2.002 1.882 2.135     .  0 0 "[    .    1    .    2]" 1 
       732 1  77 PHE HZ   1  79 VAL QG   5.000 . 7.400 3.852 3.687 4.020     .  0 0 "[    .    1    .    2]" 1 
       733 1  78 ASP H    1  78 ASP QB   2.900 . 3.500 2.552 2.408 3.067     .  0 0 "[    .    1    .    2]" 1 
       734 1  78 ASP H    1  79 VAL H    5.000 . 5.000 4.583 4.560 4.597     .  0 0 "[    .    1    .    2]" 1 
       735 1  78 ASP H    1  88 ALA MB   5.000 . 6.500 4.416 4.269 4.502     .  0 0 "[    .    1    .    2]" 1 
       736 1  78 ASP H    1  89 ALA H    2.900 . 2.900 3.017 2.980 3.085 0.185 10 0 "[    .    1    .    2]" 1 
       737 1  78 ASP H    1  89 ALA MB   3.500 . 5.000 3.962 3.866 4.050     .  0 0 "[    .    1    .    2]" 1 
       738 1  78 ASP H    1  91 VAL QG   3.500 . 5.900 4.078 4.025 4.135     .  0 0 "[    .    1    .    2]" 1 
       739 1  78 ASP HA   1  79 VAL H    2.900 . 2.900 2.354 2.322 2.438     .  0 0 "[    .    1    .    2]" 1 
       740 1  78 ASP HA   1  79 VAL QG   5.000 . 7.400 3.318 3.212 3.379     .  0 0 "[    .    1    .    2]" 1 
       741 1  78 ASP HA   1  80 VAL QG   5.000 . 7.400 4.799 4.662 5.061     .  0 0 "[    .    1    .    2]" 1 
       742 1  78 ASP QB   1  79 VAL H    2.900 . 3.900 2.630 2.394 2.715     .  0 0 "[    .    1    .    2]" 1 
       743 1  78 ASP QB   1  80 VAL QG   3.500 . 6.900 2.938 2.795 3.328     .  0 0 "[    .    1    .    2]" 1 
       744 1  78 ASP QB   1  89 ALA H    5.000 . 6.000 3.525 3.345 4.559     .  0 0 "[    .    1    .    2]" 1 
       745 1  78 ASP QB   1  89 ALA MB   3.500 . 6.000 2.839 2.546 4.135     .  0 0 "[    .    1    .    2]" 1 
       746 1  79 VAL H    1  79 VAL HB   2.900 . 2.900 2.641 2.606 2.669     .  0 0 "[    .    1    .    2]" 1 
       747 1  79 VAL H    1  79 VAL QG   2.900 . 4.600 2.527 2.448 2.569     .  0 0 "[    .    1    .    2]" 1 
       748 1  79 VAL H    1  80 VAL H    5.000 . 5.000 4.354 4.337 4.389     .  0 0 "[    .    1    .    2]" 1 
       749 1  79 VAL HA   1  80 VAL H    2.900 . 2.900 2.163 2.152 2.176     .  0 0 "[    .    1    .    2]" 1 
       750 1  79 VAL HA   1  89 ALA H    3.500 . 3.500 3.541 3.502 3.589 0.089  8 0 "[    .    1    .    2]" 1 
       751 1  79 VAL HB   1  80 VAL H    5.000 . 5.000 4.178 4.158 4.195     .  0 0 "[    .    1    .    2]" 1 
       752 1  79 VAL QG   1  80 VAL H    2.900 . 5.300 2.442 2.406 2.472     .  0 0 "[    .    1    .    2]" 1 
       753 1  79 VAL QG   1  86 ALA MB   2.700 . 6.600 2.109 2.005 2.215     .  0 0 "[    .    1    .    2]" 1 
       754 1  79 VAL QG   1  87 GLU H    2.900 . 5.300 2.988 2.811 3.094     .  0 0 "[    .    1    .    2]" 1 
       755 1  79 VAL QG   1  89 ALA H    5.000 . 7.400 4.227 4.176 4.341     .  0 0 "[    .    1    .    2]" 1 
       756 1  80 VAL H    1  80 VAL HB   3.500 . 3.500 3.809 3.780 3.821 0.321 15 0 "[    .    1    .    2]" 1 
       757 1  80 VAL H    1  80 VAL QG   2.900 . 4.600 2.046 1.985 2.109     .  0 0 "[    .    1    .    2]" 1 
       758 1  80 VAL H    1  81 GLU H    5.000 . 5.000 4.470 4.453 4.482     .  0 0 "[    .    1    .    2]" 1 
       759 1  80 VAL H    1  86 ALA HA   5.000 . 5.000 4.694 4.570 4.913     .  0 0 "[    .    1    .    2]" 1 
       760 1  80 VAL H    1  87 GLU QB   5.000 . 6.000 3.878 3.696 4.864     .  0 0 "[    .    1    .    2]" 1 
       761 1  80 VAL H    1  87 GLU QG   5.000 . 6.000 4.526 3.224 4.706     .  0 0 "[    .    1    .    2]" 1 
       762 1  80 VAL H    1  88 ALA HA   3.500 . 3.500 3.444 3.258 3.487     .  0 0 "[    .    1    .    2]" 1 
       763 1  80 VAL HA   1  81 GLU H    2.900 . 2.900 2.423 2.367 2.483     .  0 0 "[    .    1    .    2]" 1 
       764 1  80 VAL HB   1  81 GLU H    2.900 . 2.900 2.495 2.411 2.596     .  0 0 "[    .    1    .    2]" 1 
       765 1  80 VAL QG   1  81 GLU H    2.900 . 5.300 3.176 3.126 3.224     .  0 0 "[    .    1    .    2]" 1 
       766 1  80 VAL QG   1  81 GLU QB   3.500 . 6.900 4.236 4.127 4.296     .  0 0 "[    .    1    .    2]" 1 
       767 1  80 VAL QG   1  82 GLY H    5.000 . 7.400 4.551 4.337 4.669     .  0 0 "[    .    1    .    2]" 1 
       768 1  80 VAL QG   1  87 GLU H    2.900 . 5.300 3.217 3.147 3.411     .  0 0 "[    .    1    .    2]" 1 
       769 1  80 VAL QG   1  87 GLU QG   2.700 . 6.100 3.164 1.994 3.329     .  0 0 "[    .    1    .    2]" 1 
       770 1  80 VAL QG   1  89 ALA H    5.000 . 7.400 3.705 3.567 3.842     .  0 0 "[    .    1    .    2]" 1 
       771 1  80 VAL QG   1  89 ALA MB   2.700 . 6.600 2.228 2.082 2.370     .  0 0 "[    .    1    .    2]" 1 
       772 1  81 GLU H    1  81 GLU QG   2.900 . 3.900 3.239 2.624 4.004 0.104  1 0 "[    .    1    .    2]" 1 
       773 1  81 GLU H    1  82 GLY H    5.000 . 5.000 4.626 4.586 4.650     .  0 0 "[    .    1    .    2]" 1 
       774 1  81 GLU HA   1  82 GLY H    2.900 . 2.900 2.200 2.171 2.232     .  0 0 "[    .    1    .    2]" 1 
       775 1  81 GLU HA   1  86 ALA MB   5.000 . 6.500 4.150 3.936 4.322     .  0 0 "[    .    1    .    2]" 1 
       776 1  81 GLU HA   1  87 GLU H    3.500 . 3.500 3.432 3.307 3.584 0.084  3 0 "[    .    1    .    2]" 1 
       777 1  81 GLU QB   1  82 GLY H    3.500 . 4.500 3.139 2.723 3.735     .  0 0 "[    .    1    .    2]" 1 
       778 1  81 GLU QG   1  82 GLY H    2.900 . 3.900 3.207 2.568 3.632     .  0 0 "[    .    1    .    2]" 1 
       779 1  82 GLY H    1  85 GLY H    3.500 . 3.500 3.273 3.109 3.328     .  0 0 "[    .    1    .    2]" 1 
       780 1  82 GLY H    1  86 ALA HA   2.900 . 2.900 2.887 2.318 2.982 0.082 13 0 "[    .    1    .    2]" 1 
       781 1  82 GLY H    1  86 ALA MB   5.000 . 6.500 4.446 4.014 4.525     .  0 0 "[    .    1    .    2]" 1 
       782 1  82 GLY H    1  87 GLU H    3.500 . 3.500 3.560 3.394 3.642 0.142 16 0 "[    .    1    .    2]" 1 
       783 1  82 GLY QA   1  87 GLU H    5.000 . 6.000 3.624 3.485 3.806     .  0 0 "[    .    1    .    2]" 1 
       784 1  83 GLU HA   1  84 LYS H    5.000 . 5.000 3.529 3.459 3.620     .  0 0 "[    .    1    .    2]" 1 
       785 1  83 GLU HA   1  85 GLY H    5.000 . 5.000 3.475 3.335 4.552     .  0 0 "[    .    1    .    2]" 1 
       786 1  83 GLU QB   1  84 LYS H    3.500 . 4.500 3.018 2.540 3.765     .  0 0 "[    .    1    .    2]" 1 
       787 1  83 GLU QG   1  84 LYS H    5.000 . 6.000 3.957 2.698 4.608     .  0 0 "[    .    1    .    2]" 1 
       788 1  83 GLU QG   1  85 GLY H    5.000 . 6.000 5.006 4.366 5.375     .  0 0 "[    .    1    .    2]" 1 
       789 1  84 LYS H    1  84 LYS QB   3.500 . 4.100 2.521 2.454 2.750     .  0 0 "[    .    1    .    2]" 1 
       790 1  84 LYS H    1  84 LYS QG   3.500 . 4.500 2.548 2.404 3.302     .  0 0 "[    .    1    .    2]" 1 
       791 1  84 LYS H    1  85 GLY H    2.900 . 2.900 2.455 2.285 2.580     .  0 0 "[    .    1    .    2]" 1 
       792 1  84 LYS HA   1  85 GLY H    2.900 . 2.900 3.179 2.971 3.243 0.343 17 0 "[    .    1    .    2]" 1 
       793 1  84 LYS QB   1  85 GLY H    5.000 . 6.000 3.573 3.493 3.846     .  0 0 "[    .    1    .    2]" 1 
       794 1  85 GLY H    1  86 ALA H    3.500 . 3.500 3.630 3.562 4.012 0.512  7 1 "[    . +  1    .    2]" 1 
       795 1  85 GLY QA   1  86 ALA H    2.900 . 3.900 2.385 2.105 2.440     .  0 0 "[    .    1    .    2]" 1 
       796 1  85 GLY QA   1  86 ALA MB   5.000 . 7.500 3.774 3.729 3.796     .  0 0 "[    .    1    .    2]" 1 
       797 1  86 ALA H    1  86 ALA HA   2.900 . 2.900 2.986 2.984 2.988 0.088  1 0 "[    .    1    .    2]" 1 
       798 1  86 ALA H    1  86 ALA MB   2.900 . 4.000 2.503 2.423 2.532     .  0 0 "[    .    1    .    2]" 1 
       799 1  86 ALA H    1  87 GLU H    5.000 . 5.000 4.391 4.367 4.454     .  0 0 "[    .    1    .    2]" 1 
       800 1  86 ALA HA   1  87 GLU H    2.900 . 2.900 2.177 2.159 2.256     .  0 0 "[    .    1    .    2]" 1 
       801 1  86 ALA MB   1  87 GLU H    2.900 . 4.400 3.009 2.823 3.094     .  0 0 "[    .    1    .    2]" 1 
       802 1  87 GLU H    1  87 GLU HA   2.900 . 2.900 2.981 2.964 2.985 0.085  9 0 "[    .    1    .    2]" 1 
       803 1  87 GLU H    1  87 GLU QB   2.900 . 3.500 2.623 2.538 3.129     .  0 0 "[    .    1    .    2]" 1 
       804 1  87 GLU H    1  87 GLU QG   3.500 . 4.500 3.950 2.446 4.140     .  0 0 "[    .    1    .    2]" 1 
       805 1  87 GLU H    1  88 ALA H    5.000 . 5.000 4.378 4.353 4.417     .  0 0 "[    .    1    .    2]" 1 
       806 1  87 GLU HA   1  88 ALA H    2.900 . 2.900 2.195 2.168 2.325     .  0 0 "[    .    1    .    2]" 1 
       807 1  87 GLU QB   1  88 ALA H    2.900 . 3.900 3.560 2.582 3.683     .  0 0 "[    .    1    .    2]" 1 
       808 1  87 GLU QG   1  88 ALA H    3.500 . 4.500 2.661 2.510 3.549     .  0 0 "[    .    1    .    2]" 1 
       809 1  88 ALA H    1  88 ALA HA   2.900 . 2.900 2.930 2.923 2.942 0.042 16 0 "[    .    1    .    2]" 1 
       810 1  88 ALA H    1  88 ALA MB   2.900 . 4.000 2.285 2.272 2.306     .  0 0 "[    .    1    .    2]" 1 
       811 1  88 ALA HA   1  89 ALA H    2.900 . 2.900 2.281 2.255 2.315     .  0 0 "[    .    1    .    2]" 1 
       812 1  88 ALA HA   1  91 VAL QG   5.000 . 7.400 4.234 4.120 4.355     .  0 0 "[    .    1    .    2]" 1 
       813 1  88 ALA MB   1  89 ALA H    2.900 . 4.400 2.727 2.656 2.797     .  0 0 "[    .    1    .    2]" 1 
       814 1  88 ALA MB   1  91 VAL QG   2.700 . 6.600 2.245 2.122 2.366     .  0 0 "[    .    1    .    2]" 1 
       815 1  89 ALA H    1  89 ALA MB   2.900 . 4.000 2.699 2.678 2.718     .  0 0 "[    .    1    .    2]" 1 
       816 1  89 ALA H    1  90 ASN H    5.000 . 5.000 4.379 4.367 4.392     .  0 0 "[    .    1    .    2]" 1 
       817 1  89 ALA H    1  91 VAL QG   3.500 . 5.900 3.508 3.403 3.656     .  0 0 "[    .    1    .    2]" 1 
       818 1  89 ALA HA   1  90 ASN H    2.900 . 2.900 2.312 2.277 2.350     .  0 0 "[    .    1    .    2]" 1 
       819 1  89 ALA HA   1  91 VAL H    5.000 . 5.000 3.850 3.805 3.989     .  0 0 "[    .    1    .    2]" 1 
       820 1  89 ALA HA   1  91 VAL QG   5.000 . 7.400 3.243 3.145 3.355     .  0 0 "[    .    1    .    2]" 1 
       821 1  89 ALA MB   1  90 ASN H    2.900 . 4.400 2.611 2.563 2.655     .  0 0 "[    .    1    .    2]" 1 
       822 1  89 ALA MB   1  91 VAL QG   5.000 . 8.900 4.298 4.229 4.384     .  0 0 "[    .    1    .    2]" 1 
       823 1  90 ASN H    1  90 ASN HA   2.900 . 2.900 2.298 2.291 2.306     .  0 0 "[    .    1    .    2]" 1 
       824 1  90 ASN H    1  90 ASN QB   3.500 . 4.100 3.280 3.011 3.436     .  0 0 "[    .    1    .    2]" 1 
       825 1  90 ASN H    1  91 VAL H    2.900 . 2.900 2.812 2.756 2.886     .  0 0 "[    .    1    .    2]" 1 
       826 1  90 ASN H    1  91 VAL QG   3.500 . 5.900 3.659 3.607 3.692     .  0 0 "[    .    1    .    2]" 1 
       827 1  90 ASN HA   1  91 VAL H    2.900 . 2.900 2.655 2.603 2.675     .  0 0 "[    .    1    .    2]" 1 
       828 1  90 ASN HA   1  91 VAL QG   5.000 . 7.400 4.243 4.207 4.271     .  0 0 "[    .    1    .    2]" 1 
       829 1  91 VAL H    1  91 VAL HB   2.900 . 2.900 2.527 2.505 2.541     .  0 0 "[    .    1    .    2]" 1 
       830 1  91 VAL H    1  91 VAL QG   2.900 . 4.600 2.218 2.175 2.294     .  0 0 "[    .    1    .    2]" 1 
       831 1  91 VAL H    1  92 THR H    5.000 . 5.000 4.463 4.433 4.489     .  0 0 "[    .    1    .    2]" 1 
       832 1  91 VAL HA   1  91 VAL QG   2.700 . 4.400 2.090 2.086 2.093     .  0 0 "[    .    1    .    2]" 1 
       833 1  91 VAL HA   1  92 THR H    2.900 . 2.900 2.126 2.115 2.135     .  0 0 "[    .    1    .    2]" 1 
       834 1  91 VAL HB   1  92 THR H    5.000 . 5.000 4.258 4.236 4.278     .  0 0 "[    .    1    .    2]" 1 
       835 1  91 VAL QG   1  92 THR H    2.900 . 5.300 2.721 2.672 2.776     .  0 0 "[    .    1    .    2]" 1 
       836 1  92 THR H    1  92 THR MG   2.900 . 4.400 2.978 2.902 3.022     .  0 0 "[    .    1    .    2]" 1 
       837 1  92 THR HA   1  93 GLY H    2.900 . 2.900 2.494 2.472 2.546     .  0 0 "[    .    1    .    2]" 1 
       838 1  92 THR HA   1  99 VAL QG   2.700 . 5.100 2.791 2.342 3.552     .  0 0 "[    .    1    .    2]" 1 
       839 1  92 THR HB   1  93 GLY H    2.900 . 2.900 2.338 2.253 2.389     .  0 0 "[    .    1    .    2]" 1 
       840 1  92 THR HB   1  96 GLY H    5.000 . 5.000 4.363 4.151 4.475     .  0 0 "[    .    1    .    2]" 1 
       841 1  92 THR HB   1  97 VAL H    5.000 . 5.000 4.593 4.180 4.909     .  0 0 "[    .    1    .    2]" 1 
       842 1  92 THR MG   1  93 GLY H    3.500 . 5.000 3.730 3.693 3.774     .  0 0 "[    .    1    .    2]" 1 
       843 1  92 THR MG   1  96 GLY H    5.000 . 6.500 5.369 5.161 5.461     .  0 0 "[    .    1    .    2]" 1 
       844 1  92 THR MG   1  96 GLY QA   3.500 . 6.000 3.630 3.273 3.817     .  0 0 "[    .    1    .    2]" 1 
       845 1  93 GLY H    1  97 VAL H    5.000 . 5.000 4.170 3.911 4.337     .  0 0 "[    .    1    .    2]" 1 
       846 1  93 GLY H    1  97 VAL QG   3.500 . 5.900 3.541 3.159 4.499     .  0 0 "[    .    1    .    2]" 1 
       847 1  93 GLY H    1  98 PRO HA   5.000 . 5.000 3.535 3.268 4.020     .  0 0 "[    .    1    .    2]" 1 
       848 1  93 GLY H    1  99 VAL H    5.000 . 5.000 4.041 3.649 4.527     .  0 0 "[    .    1    .    2]" 1 
       849 1  93 GLY H    1  99 VAL HA   5.000 . 5.000 4.259 3.865 5.086 0.086 14 0 "[    .    1    .    2]" 1 
       850 1  93 GLY H    1  99 VAL QG   3.500 . 5.900 3.000 2.666 3.487     .  0 0 "[    .    1    .    2]" 1 
       851 1  93 GLY QA   1  97 VAL QG   3.500 . 6.900 2.486 2.176 3.774     .  0 0 "[    .    1    .    2]" 1 
       852 1  94 PRO HA   1  95 GLY H    2.900 . 2.900 2.187 2.157 2.202     .  0 0 "[    .    1    .    2]" 1 
       853 1  94 PRO HA   1  96 GLY H    3.500 . 3.500 3.141 3.079 3.231     .  0 0 "[    .    1    .    2]" 1 
       854 1  94 PRO QB   1  95 GLY H    3.500 . 4.500 3.266 3.212 3.401     .  0 0 "[    .    1    .    2]" 1 
       855 1  94 PRO QD   1  97 VAL QG   3.500 . 6.900 2.780 2.376 3.924     .  0 0 "[    .    1    .    2]" 1 
       856 1  94 PRO QG   1  95 GLY H    5.000 . 6.000 4.703 4.671 4.781     .  0 0 "[    .    1    .    2]" 1 
       857 1  95 GLY H    1  96 GLY H    2.900 . 2.900 2.430 2.396 2.470     .  0 0 "[    .    1    .    2]" 1 
       858 1  95 GLY H    1  97 VAL H    5.000 . 5.000 4.202 4.147 4.234     .  0 0 "[    .    1    .    2]" 1 
       859 1  95 GLY QA   1  97 VAL QG   5.000 . 8.400 2.818 2.752 2.870     .  0 0 "[    .    1    .    2]" 1 
       860 1  96 GLY H    1  97 VAL H    2.900 . 2.900 2.293 2.241 2.350     .  0 0 "[    .    1    .    2]" 1 
       861 1  96 GLY H    1  97 VAL QG   3.500 . 5.900 3.302 3.174 3.740     .  0 0 "[    .    1    .    2]" 1 
       862 1  96 GLY QA   1  97 VAL H    3.500 . 4.500 2.944 2.928 2.955     .  0 0 "[    .    1    .    2]" 1 
       863 1  97 VAL H    1  97 VAL HA   2.900 . 2.900 2.915 2.897 2.925 0.025  1 0 "[    .    1    .    2]" 1 
       864 1  97 VAL H    1  97 VAL HB   3.500 . 3.500 3.543 2.524 3.668 0.168 16 0 "[    .    1    .    2]" 1 
       865 1  97 VAL H    1  97 VAL QG   2.900 . 4.600 1.865 1.820 2.120     .  0 0 "[    .    1    .    2]" 1 
       866 1  97 VAL QG   1  98 PRO QD   3.500 . 6.900 2.756 2.035 2.852     .  0 0 "[    .    1    .    2]" 1 
       867 1  97 VAL QG   1  98 PRO QG   5.000 . 8.400 4.086 3.669 4.294     .  0 0 "[    .    1    .    2]" 1 
       868 1  98 PRO HA   1  99 VAL H    2.900 . 2.900 2.314 2.260 2.390     .  0 0 "[    .    1    .    2]" 1 
       869 1  98 PRO HA   1  99 VAL QG   3.500 . 5.900 3.390 3.332 3.486     .  0 0 "[    .    1    .    2]" 1 
       870 1  98 PRO QB   1  99 VAL H    3.500 . 4.500 2.911 2.718 3.041     .  0 0 "[    .    1    .    2]" 1 
       871 1  99 VAL H    1  99 VAL HA   2.900 . 2.900 2.903 2.873 2.940 0.040 16 0 "[    .    1    .    2]" 1 
       872 1  99 VAL H    1  99 VAL QG   2.900 . 4.600 1.808 1.674 1.896 0.126 18 0 "[    .    1    .    2]" 1 
       873 1  99 VAL H    1 100 GLN H    5.000 . 5.000 4.625 4.569 4.654     .  0 0 "[    .    1    .    2]" 1 
       874 1  99 VAL HA   1 100 GLN H    2.900 . 2.900 2.220 2.155 2.323     .  0 0 "[    .    1    .    2]" 1 
       875 1  99 VAL HA   1 101 GLY H    5.000 . 5.000 4.024 3.855 4.197     .  0 0 "[    .    1    .    2]" 1 
       876 1  99 VAL HB   1 100 GLN H    3.500 . 3.500 2.936 2.623 3.249     .  0 0 "[    .    1    .    2]" 1 
       877 1  99 VAL HB   1 101 GLY H    3.500 . 3.500 2.770 2.596 2.979     .  0 0 "[    .    1    .    2]" 1 
       878 1  99 VAL QG   1 100 GLN H    5.000 . 7.400 3.351 3.243 3.425     .  0 0 "[    .    1    .    2]" 1 
       879 1  99 VAL QG   1 101 GLY H    3.500 . 5.900 3.376 3.038 3.755     .  0 0 "[    .    1    .    2]" 1 
       880 1  99 VAL QG   1 101 GLY QA   5.000 . 8.400 3.241 2.837 3.714     .  0 0 "[    .    1    .    2]" 1 
       881 1 100 GLN H    1 100 GLN QB   3.500 . 4.100 2.373 2.307 2.503     .  0 0 "[    .    1    .    2]" 1 
       882 1 100 GLN H    1 100 GLN QG   3.500 . 4.500 3.373 2.301 4.128     .  0 0 "[    .    1    .    2]" 1 
       883 1 100 GLN H    1 101 GLY H    3.500 . 3.500 2.539 2.483 2.606     .  0 0 "[    .    1    .    2]" 1 
       884 1 100 GLN HA   1 101 GLY H    3.500 . 3.500 3.573 3.556 3.589 0.089  7 0 "[    .    1    .    2]" 1 
       885 1 100 GLN QB   1 101 GLY H    5.000 . 6.000 2.570 2.522 2.602     .  0 0 "[    .    1    .    2]" 1 
       886 1 100 GLN QG   1 101 GLY H    3.500 . 4.500 3.908 3.742 4.116     .  0 0 "[    .    1    .    2]" 1 
       887 1 101 GLY H    1 102 SER H    5.000 . 5.000 4.513 4.436 4.576     .  0 0 "[    .    1    .    2]" 1 
       888 1 101 GLY QA   1 102 SER H    3.500 . 4.500 2.303 2.254 2.325     .  0 0 "[    .    1    .    2]" 1 
       889 1 102 SER H    1 102 SER QB   2.900 . 3.500 2.463 2.322 2.658     .  0 0 "[    .    1    .    2]" 1 
       890 1 102 SER H    1 105 ALA MB   3.500 . 3.500 3.067 2.243 3.608 0.108 14 0 "[    .    1    .    2]" 1 
       891 1 102 SER QB   1 104 TYR H    5.000 . 6.000 2.740 2.475 3.424     .  0 0 "[    .    1    .    2]" 1 
       892 1 102 SER QB   1 105 ALA H    5.000 . 6.000 4.644 2.302 5.452     .  0 0 "[    .    1    .    2]" 1 
       893 1 102 SER QB   1 105 ALA MB   2.700 . 5.200 2.858 2.082 3.584     .  0 0 "[    .    1    .    2]" 1 
       894 1 103 LYS HA   1 104 TYR H    3.500 . 3.500 3.582 3.529 3.594 0.094 15 0 "[    .    1    .    2]" 1 
       895 1 103 LYS QB   1 104 TYR H    5.000 . 6.000 2.571 2.437 3.629     .  0 0 "[    .    1    .    2]" 1 
       896 1 104 TYR H    1 104 TYR QB   3.500 . 4.500 2.680 2.431 2.859     .  0 0 "[    .    1    .    2]" 1 
       897 1 104 TYR H    1 104 TYR QD   3.500 . 5.500 4.271 2.288 4.506     .  0 0 "[    .    1    .    2]" 1 
       898 1 104 TYR HA   1 105 ALA H    5.000 . 5.000 2.264 2.162 3.496     .  0 0 "[    .    1    .    2]" 1 
       899 1 104 TYR QB   1 105 ALA H    5.000 . 6.000 3.728 3.667 3.778     .  0 0 "[    .    1    .    2]" 1 
       900 1 104 TYR HH   1 105 ALA H    5.000 . 5.000 5.700 5.190 6.288 1.288  3 9 "[  +**    1-  *.*** *]" 1 
       901 1 105 ALA H    1 105 ALA MB   2.900 . 3.900 2.663 2.257 2.725     .  0 0 "[    .    1    .    2]" 1 
       902 1 105 ALA H    1 106 ALA H    5.000 . 5.000 3.922 2.989 4.658     .  0 0 "[    .    1    .    2]" 1 
       903 1 105 ALA HA   1 106 ALA H    2.900 . 2.900 2.419 2.287 2.546     .  0 0 "[    .    1    .    2]" 1 
       904 1 106 ALA H    1 106 ALA HA   2.900 . 2.900 2.638 2.293 2.936 0.036  3 0 "[    .    1    .    2]" 1 
       905 1 106 ALA H    1 106 ALA MB   2.900 . 3.900 2.858 2.316 3.003     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Saturday, June 15, 2024 9:03:56 AM GMT (wattos1)